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Name : Biman Jana

Department : School of Chemical Sciences
Designation : Professor
Contact : +91 33 2473 4971 (Ext:2107)
Email : pcbj@iacs.res.in



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One research associate/post-doctoral position is available in the group. Candidates with experience in theoretical/computational studies on Theoretical/computational biophysical chemistry (MD simulation, enhanced sampling and machine learning)  may contact directly to Dr. Biman Jana (pcbj@iacs.res.in)

 

 

 

NEWS:

Rahul has been awarded the ACS Best Poster award in the Theoretical Chemistry Symposium (TCS 2023), ............................... Congrats Rahul

 

"Accurate Prediction of Antifreeze Protein from Sequences through Natural Language Text Processing and Interpretable Machine Learning Approaches" has been accepted in JPC Letters................................ Congrats Saikat

 

"Supramolecular alternating copolymers with highly efficient fluorescence resonance energy transfer" has been accepted in Chemical Science................................ Congrats Pradipta

 

"Decoupling of Interactions between Model-Charged Peptides Reveals Key Factors Responsible for Liquid–Liquid Phase Separation" has been accepted in Journal of Physical Chemistry B............................ Congrats Debasis

 

"Preferential Ordering and Organization of Hydration Water Favor Nucleation of Ice by Ice-Nucleating Proteins over Antifreeze Proteins"  has been accepted in Journal of Physical Chemistry B ................. Congracts Rahul and Prasun @BJLAB

 

"Road-blocker HSP disease mutation disrupts pre-organization for ATP hydrolysis in kinesin through a second sphere control" has been accepted in PNAS, USA...................................... Congrats Rabi @ BJLab

Ritaban started his journey as a second post-doc fellow at Warshel Center for Multiscale Simulations, USC Dornsife........................Heartiest congratulations to him @BJ Lab.

"Real-time Observation of Macroscopic Helical Morphologies under OM: A Curious Case of π-π Stacking Driven Molecular Self-assembly of an Organic Gelator Devoid of Hydrogen Bonding" has been accepted in Angewandte Chemie ............................Congrats Susmita @BJLAB

"Number of Hydrogen Bonds Per Unit Solvent Accessible Surface Area: A descriptor of funtional states of protein " has been accepted in Journal of Physical Chemistry B ................. Congracts Prasun @BJLAB

"Molecular Factors of Ice Growth Inhibition for Hyperactive and Globular Antifreeze Proteins: Insights from Molecular Dynamics Simulation" has been accepted in Langmuir .................Congrats Prasun and Rahul @ BJLAB

"Identifying the Template for Oligomer to Fibril Conversion for Amyloid-β (1-42) oligomers using Hamiltonian Replica Exchange Molecular Dynamics" has been accepted in ChemPhysChem .........................Congrats Debasis @ BJLab

Sandipan joined in Dr. Reddy's Institute of Life Sciences, Hyderabad as Associate Principal Research Scientist.........Heartiest congratulations to Sandipan @BJ Lab.

Collaborative study of "Direct Participation of Solvent Molecules in the Formation of Supramolecular Polymers" has been accepted in Chemistry A European Journal ....................Congrats Prasun @ BJLab

Sushmita started her  journey as a post-doc fellow at Lukasz Kurgan Lab, Virginia Commonwealth University, USA........................Heartiest congratulations to her @BJ Lab

Curious Case of MAD2 Protein: Diverse Folding Intermediates Leading to Alternate Native States has been

accepted in Journal of Physical Chemistry B................  Congrats Catherine @ BJLab

Catherine has been conferred with the Doctoral degree and started her new journey as a post-doc fellow at Victor Munoz Lab, University of California, Merced, USA........................Heartiest congratulations to her @BJ Lab

"Kinetic and Thermodynamic Stability Comparison for Fibrillar Form of Small Amyloid-β(1-42) Oligomers Using Scaled Molecular Dynamics" has been accepted in Physical Chemistry Chemical Physics .............. Congrats Debasis @BJLab

"Differential Hydration of Ice-Binding Surface of Globular and Hyperactive Antifreeze Proteins" has been accepted in Advanced Theory and Simulations .............. Congrats Prasun @BJLab

"Cold denaturation induced helix-to-helix transition and its implication to activity of helical antifreeze protein" has been accepted in Journal of Molecular Liquids .............. Congrats Sridip @BJLab

Role of Calcium in Modulating the Conformational Landscape and Peptide Binding Induced Closing of Calmodulin” has been accepted in Journal of Physical Chemistry B ................ Congrats Catherine @ BJLab

"Mechanistic basis of propofol-induced disruption of kinesin processivity" has been accepted in PNAS, USA .............. Congrats Mandira @BJLab

"Computational modeling of dynein motor proteins at work" has been accepted in Chemical Communications .............. Congrats Mandira @BJLab

"Exploring the role of hydrophilic amino acids in unfolding of protein in aqueous ethanol solution" has been accepted in Proteins: Structure, Function, and Bioinformatics .............. Congrats Ritaban @BJLab

Mandira has been conferred with the Doctoral degree and started her new journey as a post-doc fellow at Gregory A. Voth Lab, University of Chicago, USA........................Heartiest congratulations to her @BJ Lab.

"On the Correlation between Pair Hydrophobicity and Mixing Enthalpies in Water-Alcohol Binary Mixtures" has been accepted in J. Phys. Chem. B  .............. Congrats Ritaban @BJLab

"Structural insight into the effect of polymorphic variation on the functional dynamics of methionine synthase reductase: Implications in neural tube defects" has been accepted in Chemical Biology and Drug Design  ........... Congrats Sandipan @BJLab

"Novel Mechanism of Cholesterol Transport by ABCA5 in Macrophages and Its Role in Dyslipidemia"has been accepted in J. Molecular Biology ........... Congrats Sandipan @BJLAB

"Deciphering the Role of the Non-ice-binding Surface in the Antifreeze Activity of Hyperactive Antifreeze" has been accepted in J. Phys Chem B ......... Congrats Prasun @BJLAB

"Intersubunit Assisted Folding of DNA Binding Domains in Dimeric Catabolite Activator Protein" has been accepted in J. Phys Chem B...........Congrats Catherine @BJLAB

Collaborative study of  "Ionophore constructed from non-covalent assembly of a G-quadruplex and liponucleoside transports K+-ion across biological membranes" has been accepted in Nature Communication.......................................Congrats Sandipan @ BJ LAB!

Sridip has been conferred with the Doctoral degree and started his new journey as a post-doc fellow at Ken Dill Lab, State University of Newyork, USA........................Heartiest congratulations to him @BJ Lab. 

Sandipan joined in Amity University, Kolkata as an Assistant Professor (Grade-II).........Heartiest congratulations to Sandipan @BJ Lab.

We cordially welcome new NPDF fellow Dr. Debasis Saha. 

We cordially welcome new PhD fellow Rahul Aich from University of Calcutta.

Ritaban has been conferred with the Doctoral degree and started his new journey as a post-doc fellow at Edward P. O'Brien Lab, PennState University........................Heartiest congratulations to him @BJ Lab. 

"Mechanistic study of the ATP hydrolysis reaction in dynein motor protein" has been published in PCCP............Congrats Rabi @BJ LAB.

"Role of AAA3 Domain in Allosteric Communication of Dynein Motor Proteins." has been accepted in ACS Omega.......Congrats Mandira @BJ LAB!

"Exploring and Engineering the Conformational Landscape of Calmodulin through Specific Interactions." has been accepted in J. Phys Chem B.....Congrats Ritaban @BJ LAB! 

"Relative Solvent Exposure of the Alpha-Helix and Beta-Sheet in Water Determines the Initial Stages of Urea and Guanidinium Chloride-Induced Denaturation of Alpha/Beta Proteins." has been accepted in J. Phys Chem B........Congrats Sridip @BJ LAB!

Prospects of hydration water mediated ice recognition on type III AFP: our new paper "Ordered hydration layer mediated ice adsorption of a globular antifreeze protein: A mechanistic insight" has been accepted in PCCP........................Congrats Sandipan @BJ LAB !

"Calcium Ion Implicitly Modulates the Adsorption Ability of Ion-Dependent Type II Antifreeze Proteins on Ice/Water Interface: A Structural Insight" our new paper has been accepted in Metallomics......................................Congrats Sandipan @ BJ LAB!

Molecular scale insight into the structure and ultrafast exiton dynamics in 2-D porphyrin nanostructure. Our new paper on JPC C:"Structural Insight and Ultrafast Dynamics of 2D-Porphyrin Nanostructures"............................@BJ LAB!

Experimental proof of our predicted water mediated ice recognition is now published in Journal of Chemical Physics and the paper has been selected as Editor's choice featured article: "Molecular structure of a hyperactive antifreeze protein adsorbed to ice"

Catherine wins best poster award in Indian Biophysical Society Meeting 2019, IISER Kolkata..............Congrats Catherine @BJ Lab!

Solvent assisted supramolecular assembly of cationic perylene diimide: "Solvent-Assisted Enhanced Emission of Cationic Perylene Diimide Supramolecular Assembly in Water: A Perspective from Experiment and Simulation."  has been accepted in J Phys Chem C  .............Congrats Ritaban @ BJ Lab!

Mandira wins best poster award in DICB 2019, Bangaluru symposium .............Congrats Mandira @BJ Lab!

Origin of clathrate water in Biomolecular structure at ambient condition: "Factors Promoting the Formation of Clathrate-like Ordering of Water in Biomolecular Structure at Ambient Temperature and Pressure" has been accepted in J Phys Chem B....................Congrats Sridip @ BJ Lab! 

An authorative review on Antifreeze protein "Antifreeze proteins: An unusual tale of structural evolution, hydration and function" has been published in Proceedings of the Indian National Academy of Sciences.

Thermodynamic insight into the unusual structure of an antifreeze protein with hydrated core: "Molecular Insights into the Unusual Structure of an Antifreeze Protein with Hydrated Core" has been accepted in J Phys Chem B.......................Congrats Sridip @ BJ Lab.

Role of Biological water in catalysis: "Unraveling the Crucial Role of Single Active Water Molecule in the Oxidative Cleavage of Aliphatic C-C bond of 2,4ʹ- dihydroxyacetophenone Catalyzed by DAD enzyme: A QM/MM Investigation" has been accepted in ACS Catalysis................................Congrats Rabi @ BJ LAB!

"Structural consequences of Hereditary Spastic Paraplegia diseases related mutations in kinesin" has been accepted for publication in PNAS, USA............Congrats Mandira @ BJ Lab!

"Molecular mechanisms of the interhead coordination by interhead tension in cytoplasmic dyneins" has been published in PNAS, USA..........Congratulations to Sir @BJ Lab!

"Local environment of organic dyes in an ionic liquid-water mixture: FCS and MD simulation" has been accepted in Journal of Chemical Physics..............Congratulation to Sridip and Somen!

Ritaban wins best poster award in IISER Kolkata-Journal of Physical Chemistry joint symposium .............Congrats Ritaban @BJ Lab!

"Unravelling the Composition Dependent Anomalies of Pair Hydrophobicity in Water-Ethanol Binary Mixtures" has been accepted in JPC B..............Congratulation to Ritaban!

Dr. Biman Jana has been selected for the Indian National Science Academy (INSA) Young Scientist Medal for the year 2018...............heartiest congratulations to sir @ BJ Lab!

 "Optimum Number of Anchored Clathrate Water and Its Instantaneous Fluctuations Dictate Ice Plane Recognition Specificities of Insect Antifreeze Protein" has been accepted in JPC B..............................Congrats Sandipan!

We cordially welcome Dr. Susmita Roy (visiting scientist) from CTBP, Rice University, USA in our group!

"Interaction of proteins with ionic liquid, alcohol and DMSO and in situ generation of gold nano-clusters in a cell" has been published in Biophysical Reviewes.......................Congrats to Sridip and Ritaban!

"Molecular origin of the weak susceptibility of kinesin velocity to loads and its relation to the collective behavior of kinesins" has been accepted in PNAS..............!

 



Academic Profile

Ph. D. : 2005 -2010 from IISC Bangalore (with Prof. B. Bagchi)

Post-doc: 2011 -2013 from UCSD/RICE university (with Prof. Jose Onuchic)

Assistant Professor at IACS 2013-2017

Associate Professor at IACS 2017-2021

Professor at IACS 2021-till now 


Group

Biman Jana


Professor
PhD
Principal Investigator
pcbj@iacs.res.in
Debasis Saha

NPDF
Ph.D Post Doctoral Fellow lenovomonte@gmail.com
Prasun Pal

Senior Research Fellow, INSPIRE
M.Sc PhD Scholar pcpp2@iacs.res.in
Rahul Aich

Senior Research Fellow, UGC
M.Sc Ph.D Scholar rahulaich59@yahoo.in
Subhajit Sarkar

Senior Research Fellow, CSIR
M.Sc PhD Scholar csss2337@iacs.res.in
Pradipta Kumar Das

Senior Research Fellow
M.Sc PhD Scholar cspd2336@iacs.res.in
Rohon Mitra

Senior Research Fellow, CSIR
M.Sc PhD Scholar intrm2@iacs.res.in
Sourav Satpathi

Junior Research Fellow
M.Sc PhD Scholar souravsatapathi1@gmail.com
Saikat Dhibar

Junior Research Fellow
M.Sc Project
saikatdhibar98@gmail.com
Subhabrata Hazra


Junior Research Fellow,CSIR
M.Sc
PhD Scholar
subhabrata.bwn98@gmail.com
Kingshuk Das


Junior Research Fellow,UGC
M.Sc
PhD Scholar
kingshuk1996@gmail.com
Sumon Basak

Project Fellow
M.Sc sumon.basak@outlook.in



 


Publications

Publications

 
Accurate Prediction of Antifreeze Protein from Sequences through Natural Language Text Processing and Interpretable Machine Learning Approaches. Saikat Dhibar and Biman Jana*. JPC Letters. https://doi.org/10.1021/acs.jpclett.3c02817
 
Supramolecular alternating copolymers with highly efficient fluorescence resonance energy transfer. Anwesha Chakraborty, Pradipta Kumar Das, Biman Jana* and Suhrit Ghosh*. Chemical Science.  https://doi.org/10.1039/D3SC03056C
 

Decoupling of Interactions between Model-Charged Peptides Reveals Key Factors Responsible for Liquid–Liquid Phase Separation. Debasis Saha and Biman Jana*. Journal of Physical Chemistry B. https://doi.org/10.1021/acs.jpcb.3c03087

 

Preferential Ordering and Organization of Hydration Water Favor Nucleation of Ice by Ice-Nucleating Proteins over Antifreeze Proteins. Rahul Aich, Prasun Pal, Sandipan Chakraborty, and Biman Jana. Journal of Physical Chemistry B. https://doi.org/10.1021/acs.jpcb.3c01641

 

Road-blocker HSP disease mutation disrupts pre-organization for ATP hydrolysis in kinesin through a second sphere control. Rabindranath Manna, José Onuchic*, Biman Jana*. PNAS. https://doi.org/10.1073/pnas.2215170120

 

Real-time Observation of Macroscopic Helical Morphologies under OM: A Curious Case of π-π Stacking Driven Molecular Self-assembly of an Organic Gelator Devoid of Hydrogen Bonding. Sourabh Bera, Sushmita Basu, Biman Jana*, Parthasarathi Dastidar*.  Angewandte Chemie. https://doi.org/10.1002/ange.202216447

 

Number of Hydrogen Bonds Per Unit Solvent Accessible Surface Area: A descriptor of funtional states of protein. Prasun Pal, Sandipan Chakraborty*, Biman Jana*. Journal of Physical Chemistry B. https://doi.org/10.1021/acs.jpcb.2c05367

 

Molecular Factors of Ice Growth Inhibition for Hyperactive and Globular Antifreeze Proteins: Insights from Molecular Dynamics Simulation. Prasun Pal, Rahul Aich, Sandipan Chakraborty*, Biman Jana*. Langmuir. https://doi.org/10.1021/acs.langmuir.2c02149

 

Identifying the Template for Oligomer to Fibril Conversion for Amyloid‐β (1‐42) oligomers using Hamiltonian Replica Exchange Molecular Dynamics. Debasis Saha, Biman Jana* . ChemPhysChem. https://doi.org/10.1002/cphc.202200393

 

Direct Participation of Solvent Molecules in the Formation of Supramolecular Polymers. Goutam Ghosh, Anwesha Chakraborty, Prasun Pal, Biman Jana*, Suhrit Ghosh*. Chemistry A European Journal.  https://doi.org/10.1002/chem.202201082

 

Curious Case of MAD2 Protein: Diverse Folding Intermediates Leading to Alternate Native States. Catherine Ghosh and Biman Jana*. Journal of Physical Chemistry B. 2022, 126, 9, 1904–1916

 

Molecular Insight into the Effect of a Single-Nucleotide Polymorphic Variation on the Structure and Dynamics of Methionine Synthase Reductase and Its Association with Neural Tube Defects. Susanta Sadhukhan, Subhajit Maity, Sandipan Chakraborty, Silpita Paul, Dinesh Munian, Arup Kumar Pattanayak, Biman Jana*, and Madhusudan Das*. ACS Omega 2021, 6, 40, 26372–26380

 

Kinetic and Thermodynamic Stability Comparison for Fibrillar Form of Small Amyloid-β(1-42) Oligomers Using Scaled Molecular Dynamics. Debasis Saha, Biman Jana*. Physical chemistry chemical physics. 2021,23, 16897-16908

 

Differential Hydration of Ice-Binding Surface of Globular and Hyperactive Antifreeze Proteins. Prasun Pal, Sandipan Chakraborty*, Biman Jana*. Advanced Theory and Simulations, DOI- 10.1002/adts.202100090

 

Cold denaturation induced helix-to-helix transition and its implication to activity of helical antifreeze protein. Sridip Parui, Biman Jana*. Journal of Molecular Liquids, Volume 338, 15 September 2021, 116627

 

Role of Calcium in Modulating the Conformational Landscape and Peptide Binding Induced Closing of Calmodulin. Catherine Ghosh and Biman Jana*. Journal of Physical Chemistry B. 2021, 125, 9, 2317–2327

 

Mechanistic basis of propofol-induced disruption of kinesin processivity. Mandira DuttaSusan P. Gilbert*, José N. Onuchic*, and Biman Jana*.

 

Computational modeling of dynein motor proteins at work. Mandira Dutta, Biman Jana*. Chemical Communications, 2021,57, 272-283

 

Exploring the role of hydrophilic amino acids in unfolding of protein in aqueous ethanol solution. Ritaban Halder, Biman Jana*. Proteins: Structure, Function, and Bioinformatics, https://doi.org/10.1002/prot.25999

 

On the Correlation between Pair Hydrophobicity and Mixing Enthalpies in Water-Alcohol Binary Mixtures. Ritaban Halder, Biman Jana* . Journal of Physical Chemistry B. 2020, 124, 37, 8023–8031

 

Structural insight into the effect of polymorphic variation on the functional dynamics of methionine synthase reductase: Implications in neural tube defects Susanta Sadhukhan, Subhajit Maity, Sandipan Chakraborty, Silpita Paul, Dinesh Munian, Arup Kumar Pattanayak, Biman Jana, Madhusudan Das* Chemical Biology and Drug Design (2020) https://doi.org/10.1111/cbdd.13780

 

Novel Mechanism of Cholesterol Transport by ABCA5 in Macrophages and Its Role in Dyslipidemia. Aleepta Guha Ray, Kamalika Roy Choudhury, Sandipan Chakraborty, Devasmita Chakravarty, Vivek Chander ,Biman Jana, Khawer N.Siddiqui, Arun Bandyopadhyay*. Journal of Molecular Biology (2020), 432, 17, 4922-4941

 

Deciphering the Role of the Non-ice-binding Surface in the Antifreeze Activity of Hyperactive Antifreeze Proteins.Prasun Pal, Sandipan Chakraborty*, and Biman Jana* J. Phys Chem B (2020) , 124, 23, 4686–4696

 

Intersubunit Assisted Folding of DNA Binding Domains in Dimeric Catabolite Activator Protein. Catherine Ghosh ,Biman Jana* J. Phys Chem B (2020) , 124, 8, 1411–1423

 

Ionophore constructed from non-covalent assembly of a G-quadruplex and liponucleoside transports K+-ion across biological membranes. Manish Debnath, Sandipan Chakraborty, Y.Pavan Kumar, Ritapa Chaudhuri, Biman Jana, Jyotirmayee Dash* , Nature Communications ,volume11, Article number:469 (2020)

 

Mechanistic study of the ATP hydrolysis reaction in dynein motor protein. Rabindra Nath Manna, Mandira Dutta, Biman Jana.* Phys. Chem. Chem. Phys. (2020) 22, 1534-1542 

 

Role of AAA3 Domain in Allosteric Communication of Dynein Motor Proteins. Mandira Dutta, Biman Jana* ACS Omega (2019) 4, 26, 21921-21930

 

Exploring and Engineering the Conformational Landscape of Calmodulin through Specific Interactions. Ritaban Halder, Biman Jana* J. Phys Chem B (2019) 123, 44, 9321-9327

 

Relative Solvent Exposure of the Alpha-Helix and Beta-Sheet in Water Determines the Initial Stages of Urea and Guanidinium Chloride-Induced Denaturation of Alpha/Beta Proteins. Sridip Paruiand Biman Jana* J. Phys Chem B (2019) 123, 42, 8889-8900

 

Ordered hydration layer mediated ice adsorption of a globular antifreeze protein: A mechanistic insight, Sandipan Chakraborty and Biman Jana* Phys. Chem. Chem. Phys. (2019) 21, 19298-19310

 

Calcium Ion Implicitly Modulates the Adsorption Ability of Ion-Dependent Type II Antifreeze Proteins on Ice/Water Interface: A Structural Insight. Sandipan Chakraborty and Biman Jana* Metallomics (2019) 11, 1387-1400

 

Structural Insight and Ultrafast Dynamics of 2D-Porphyrin Nanostructures, Rajesh Bera, Sandipan Chakraborty, Sandip Kumar Nayak, Biman Jana, Amitava Patra* J. Phys Chem C (2019) 123, 25, 15815-15826

 

Molecular structure of a hyperactive antifreeze protein adsorbed to ice. Konrad Meister,C. J. Moll, Sandipan Chakraborty, Biman Jana, Arthur. L. DeVries, Hans Ramløv, and Huib J. Bakker. J. Chem. Phys. (2019) 150, 131101.

 

Solvent-Assisted Enhanced Emission of Cationic Perylene Diimide Supramolecular Assembly in Water: A Perspective from Experiment and Simulation. Kausik Bag, Ritaban Halder, Biman Jana,* Sudip Malik* J. Phys. Chem. C (2019) 123, 10, 6241-6249

 

Factors Promoting the Formation of Clathrate-like Ordering of Water in Biomolecular Structure at Ambient Temperature and Pressure. Sridip Parui and Biman Jana* J. Phys. Chem. B (2019) DOI:10.1021/acs.jpcb.8b11172

 

Antifreeze proteins: An unusual tale of structural evolution, hydration and function. Sandipan Chakraborty and Biman Jana* Proceedings of the Indian National Academy of Sciences (2019) 85, 169-187

 

Structural consequences of hereditary spastic paraplegia disease-related mutations in kinesin. Mandira Dutta, Michael R. Diehl, José N. Onuchic*, and Biman Jana* Proceedings of the National Academy of Sciences, USA (2018), DOI:https://doi.org/10.1073/pnas.1810622115

 

Molecular Insights into the Unusual Structure of an Antifreeze Protein with Hydrated Core. Sridip Parui, and Biman Jana* J. Phys. Chem. B (2018) DOI: 10.1021/acs.jpcb.8b05350

 

Unraveling the Crucial Role of Single Active Water Molecule in the Oxidative Cleavage of Aliphatic C-C bond of 2,4ʹ- dihydroxyacetophenone Catalyzed by DAD enzyme: A QM/MM Investigation. Rabindra Nath Manna, Tanmay Malakar, Biman Jana*, and Ankan Paul*. ACS Catalysis (2018) DOI: 10.1021/acscatal.8b03201

 

Molecular mechanisms of the interhead coordination by interhead tension in cytoplasmic dyneins. Qian Wang, Biman Jana, Michael R. Diehl, Margaret S. Cheung, Anatoly B. Kolomeisky, and José N. Onuchic*. Proceedings of the National Academy of Sciences, USA (2018) DOI: https://doi.org/10.1073/pnas.1806688115

 

Local environment of organic dyes in an ionic liquid-water mixture: FCS and MD simulation. Somen Nandi^, Sridip Parui^, Biman Jana* and Kankan Bhattacharyya*The Journal of Chemical Physics 149, 054501 (2018) (^:Equal contribution)

 

Unravelling the Composition Dependent Anomalies of Pair Hydrophobicity in Water-Ethanol Binary Mixtures. R. Halder and B. Jana. The Journal of Physical Chemistry B, 2018, 122 (26), pp 6801–6809

 

Optimum Number of Anchored Clathrate Water and Its Instantaneous Fluctuations Dictate Ice Plane Recognition Specificities of Insect Antifreeze Protein. S. Chakraborty and B. Jana* The Journal of Physical Chemistry B (2018) 122 (12), 3056–3067

 

Interaction of proteins with ionic liquid, alcohol and DMSO and in situ generation of gold nano-clusters in a cell. S. Nandi, S. Parui, R. Halder, B. Jana*, K. Bhattacharyya* Biophysical Reviews (2018) 10,757-768

 

Molecular origin of the weak susceptibility of kinesin velocity to loads and its relation to the collective behavior of kinesins. Qian Wang, Michael R. Diehl, Biman Jana, Margaret S. Cheung, Anatoly B. Kolomeiskya, José N. Onuchic*, Proceedings of the National Academy of Sciences (2017), 114 (41) E8611-E8617.

 

Exciton Dynamics and Formation Mechanism of MEH-PPV Polymer -Based Nanostructures. A. G hosh, B. Jana, S. Chakraborty, S. Maiti, B. Jana, H.N. Ghosh, A. Patra*, The Journal of Physical Chemistry C (2017), 121 (38), 21062–21072.

 

Role of Dispersive Fluorous Interaction in the Solvation Dynamics of the Perfluoro Group Containing Molecules. S. Mondal^, S. Chaterjee^, R. Halder^, B. Jana*, P.C. Singh*, The Journal of Physical Chemistry B, (2017) 121 (32), 7681–7688 (^: equal contribution)

 

Pairwise Hydrophobicity at Low Temperature: Appearance of a Stable Second Solvent Separated Minimum with Possible Implication in Cold Denaturation. S. Parui, B. Jana*. The Journal of Physical Chemistry B, (2017) 121 (29), 7016–7026.

 

Molecular Insight into the Adsorption of Spruce budworm Antifreeze Protein to Ice Surface: A Clathrate Mediated Recognition Mechanism, S. Chakraborty, B. Jana*, Langmuir, 33 (28), 7202–7214 (2017)

 

Modulation of the Conformational Dynamics of Apo Adenylate Kinase through a π-cation Interaction. R. Halder, R. N. Manna, S. Chakraborty, B. Jana*, J. Phys. Chem. B, 121, 5699–5708 (2017)

 

Size and Structure of Cytochrome-c bound to Gold nano-clusters: Effect of Ethanol. C. Ghosh, Md. A. Amin, B. Jana, K. Bhattacharyya. Journal of Chemical Science. , Volume 129, Issue 7, pp 841–847.

 

Conformational and Hydration Properties Modulate the Ice Recognition by Type I Antifreeze Protein and its Mutants. S. Chakraborty, B. Jana. Phyiscal Chemistry Chemical Physics, 19, 11678-11689 (2017) (This article has been included in New Frontiers in Indian Research-themed collection published by RSC publishing)

 

Effect of alcohol on the structure of cytochrome C: FCS and molecular dynamics simulations, MA Amin, R Halder, C Ghosh, B Jana, K Bhattacharyya. The Journal of Chemical Physics, 145 (23), 235102, (2016)

 

Exploring the mechanochemical cycle of dynein motor proteins: structural evidence of crucial intermediates, Mandira Dutta, Biman Jana, Phys. Chem. Chem. Phys., 2016,18, 33085-33093.

 

Destabilization of Hydrophobic Core of Chicken Villin Headpiece in Guanidinium Chloride Induced Denaturation: Hint of π-Cation Interaction, S Parui, RN Manna, B JanaThe Journal of Physical Chemistry B 120 (36), 9599-9607, (2016).

 

Strain mediated adaptation is key for myosin mechanochemistry: Discovering general rules for motor activity, B Jana, JN Onuchic, PLoS Comput Biol 12 (8), e1005035, (2016).

 

Poly (ADP-ribose) polymers regulate DNA topoisomerase I (Top1) nuclear dynamics and camptothecin sensitivity in living cells, SK Das, I Rehman, A Ghosh, S Sengupta, P Majumdar, B Jana, BB Das Nucleic Acids Research, gkw665, (2016).

 

Solvent organization around the perfluoro group of coumarin 153 governs its photophysical properties: An experimental and simulation study of coumarin dyes in ethanol as well as fluorinated ethanol solvents, S Mondal, R Halder, B Biswas, B Jana, PC Singh, The Journal of chemical physics 144 (18), 184504, (2016).

 

Structural relaxation of acridine orange dimer in bulk water and inside a single live lung cell, R Chowdhury, S Nandi, R Halder, B Jana, K Bhattacharyya, The Journal of chemical physics 144 (6), 065101, (2016).

 

Ionic liquid induced dehydration and domain closure in lysozyme: FCS and MD simulation, S Ghosh, S Parui, B Jana, K Bhattacharyya, he Journal of chemical physics 143 (12), 09B622_1, (2015).

 

Dimeric interactions and complex formation using direct coevolutionary couplings, RN Dos Santos, F Morcos, B Jana, AD Andricopulo, JN Onuchic, Scientific reports 5, 13652, (2015).

 

From structure to function: the convergence of structure based models and co-evolutionary information, B Jana, F Morcos, JN Onuchic, Physical Chemistry Chemical Physics 16 (14), 6496-6507, (2014).

 

Coevolutionary signals across protein lineages help capture multiple protein conformations, F Morcos, B Jana, T Hwa, JN Onuchic, Proceedings of the National Academy of Sciences 110 (51), 20533-20538, (2013).

 

Molecular Dynamics of Thermotropic Liquid Crystals: Anomalous relaxation dynamics of calamitic and discotic liquid crystals, B Jana, B Bagchi Journal of the Indian Institute of Science 89 (2), 75-86, (2012).

 

The origin of minus-end directionality and mechanochemistry of Ncd motors, B Jana, C Hyeon, JN Onuchic, PLoS Comput Biol 8 (11), e1002783, (2012).

 

Dimethyl sulfoxide induced structural transformations and non -monotonic concentration dependence of conformational fluctuation around active site of lysozyme, S Roy, B Jana, B Bagchi, The Journal of chemical physics 136 (11), 03B608, (2012).

 

Hydration dynamics of protein molecules in aqueous solution: Unity among diversity, B Jana, S Pal, B Bagchi Journal of Chemical Sciences 124 (1), 317-325, (2012).

 

Dynamic and thermodynamic anomalies of water at low temperatures: from bulk water to reverse micelles and DNA hydration layer, B Jana, RS Singh, R Biswas, B Bagchi, Current Science (Bangalore) 101 (7), 900-922, (2011).

 

Dynamic control of catalysis within biological cells, B Jana, B Bagchi,arXiv preprint arXiv:1105.5192, (2011).

 

Dynamic coupling between the LID and NMP domain motions in the catalytic conversion of ATP and AMP to ADP by adenylate kinase, B Jana, BV Adkar, R Biswas, B Bagchi, The Journal of chemical physics 134 (3), 01B617, (2011).

 

String-like propagation of the 5-coordinated defect state in supercooled water: molecular origin of dynamic and thermodynamic anomalies, B Jana, RS Singh, B Bagchi, Physical Chemistry Chemical Physics 13 (36), 16220-16226, (2011).

 

Theoretical and computational analysis of static and dynamic anomalies in water− DMSO binary mixture at low DMSO concentrations, S Roy, S Banerjee, N Biyani, B Jana, B Bagchi, The Journal of Physical Chemistry B 115 (4), 685-692, (2010).

 

Role of water in the enzymatic catalysis: study of ATP+ AMP→ 2ADP conversion by adenylate kinase, BV Adkar, B Jana, B Bagchi, The Journal of Physical Chemistry A 115 (16), 3691-3697, (2010).

 

Enhanced tetrahedral ordering of water molecules in minor grooves of DNA: relative role of DNA rigidity, nanoconfinement, and surface specific interactions, B Jana, S Pal, B Bagchi, The Journal of Physical Chemistry B 114 (10), 3633-3638, (2010).

 

Solvation dynamics in dipolar liquids, B Bagchi, B Jana, Chemical Society Reviews 39 (6), 1936-1954, (2010).

 

Dynamical transition of water in the grooves of DNA duplex at low temperature, D Biswal, B Jana, S Pal, B Bagchi, The Journal of Physical Chemistry B 113 (13), 4394-4399, (2009).

 

Intermittent dynamics, stochastic resonance and dynamical heterogeneity in supercooled liquid water, B Jana, B Bagchi, The Journal of Physical Chemistry B 113 (8), 2221-2224, (2009).

 

Hydrogen bond breaking mechanism and water reorientational dynamics in the hydration layer of lysozyme, B Jana, S Pal, B Bagchi, The Journal of Physical Chemistry B 112 (30), 9112-9117 (2008).

 

Orientational dynamics and energy landscape features of thermotropic liquid crystals: An analogy with supercooled liquids, B Jana, B Bagchi, Journal of Chemical Sciences 119 (5), 343-350, (2007).

 

Glassy orientational dynamics of rodlike molecules near the isotropic-nematic transition, B Jana, D Chakrabarti, B Bagchi, Physical Review E 76 (1), 011712, (2007).

 

Orientational relaxation in a discotic liquid crystal, D Chakrabarti, B Jana, B Bagchi, Physical Review E 75 (6), 061703, (2007).

 

Fiber optic sensing of liquid refractive index, A Banerjee, S Mukherjee, RK Verma, B Jana, TK Khan, M Chakroborty, ...Sensors and Actuators B: Chemical 123 (1), 594-605, (2007).

 

Entropy of water in the hydration layer of major and minor grooves of DNA, B Jana, S Pal, PK Maiti, ST Lin, JT Hynes, B Bagchi, The Journal of Physical Chemistry B 110 (39), 19611-19618, (2006).

 


Teaching



Facilities

Lab recently received funding from DST-SERB (2020-2023) for the project "Characterizing the effect of IBS and non-IBS of ice binding proteins on ice nucleation and growth"

Lab is equiped with two CPU-GPU high performace cluster and four small CPU-clusters.

In addition, Lab extensively uses central supercomputing facility (CRAY) and high-performance facility (CSS-cluster) at the Indian Association for the Cultivation of Science.


Open Positions

Motivated students with CSIR/UGC or other national fellowship from Physical Chemistry/Physics background can apply for possible PhD positions. 

 

Interested fresh Ph.D. candidate with experience in molecular dynamics simulation, enhanced sampling techniques and/or statistical mechanics with individual fellowship or interested in applying for post-doc fellowship (N-PDF, DBT/RA, CSIR/RA) can directly apply to Dr. Biman Jana (pcbj@iacs.res.in).


IACS



Honors/Awards


2018: INSA young scientist award


Contact Us

Contact Information

School of Chemical Sciences
Indian Association for the Cultivation of Science
Phone: +91 33 2473 4971/3372 (Extn. 2107)
Fax: +91 33 2473 2805
E-mail:pcbj@iacs.res.in


Alumni



Ph. D. /RA Student Alumni

1. Dr. Md. Asif Amin, Currently working as Assistant Professor at BALURGHAT MAHILA MAHAVIDYALAYA, West Bengal

2. Dr. Somen Nandi, Currently working as post-doc fellow at Institut d'Optique Graduate School, Université de Bordeaux, France.

3. Dr. Ritaban Halder, Currently working as post-doc fellow at Warshel Center for Multiscale Simulations, USC Dornsife

4. Dr. Sandipan Chakraborty, Currently working as Associate Principal Research Scientist at Dr. Reddy's Institute of Life Sciences, Hyderabad

5. Dr. Sridip Parui, Currently working as post-doc fellow at Ken Dill Lab, State University of Newyork

6. Dr. Rabindranath Manna, Currently working as post-doc fellow at Debashree Ghosh Lab, IACS, Kolkara

7. Dr. Mandira Dutta, Currently working as post-doc fellow at Gregory A. Voth Lab, University of Chicago

8. Dr. Manoj Mondal, Currently working as Ramalingaswami fellow at SN Bose, Kolkata

9. Dr. Catherine Ghosh, Currently working as post-doc fellow at Victor Munoz Lab, University of California, Merced

10. Dr. Sushmita Basu, Currently working as post-doc fellow at Lukasz Kurgan Lab, Virginia Commonwealth University, USA

Project Student Alumni

1. Venu Thatikonda, 1 year M.Sc project

2. Subham Pal,

3. Somnath Khanra,

4. Mr. Subhayan Samanta, Summer internship

5. Souvik Dey, 1 year M.Sc project

6. Nihar Ranjan Roy, 1 year project

7. Sourav Sinha, Summer internship

8. Aparajita Ganguly, Summer internship

9. Anamika Moitra, Summer internship