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2023
Fluctuation- dominated ligand binding in molten globule protein, Abhik Ghosh Moulick, J. Chakrabarti, J. Chem. Inf Model, 2023
Conformational stability and order of Hoogsteen base pair induced by protein binding, Kanika Kole, Aayatti Mallick Gupta, J. Chakrabarti, Biophysical Chemistry, 2023.
Hot crystals of thermo-responsive particles with temperature dependent diameter in the presence of a temperature gradient, Rahul Karmakar, J.Chakrabarti, The Journal of Chemical Physics,2023.
Surface specific adsorption of glucose to ZnO, Sasthi Charan Mandal, J. Chakrabarti, Physical Chemistry Chemical Physics, 2023
Microsocpic model on indoor propagation of respiratory droplets, Manas Mandal, Srabani Chakrabarti, Yi Qin Gao et al. Computational Biology and Chemistry, 2023.
2022
Model studies on motion of respiratory droplets driven through a face mask, Rahul Karmakar, Aishani Ghosal, J. Chakrabarti, Europhysics Letter, 2022.
A mechanoeleastic glimpse on Hyaluronan-coated extracellular vesicles, D Pal, A Pal, D Mukherjee et al. J. Phys. Chem. Lett. 2022, 13, 36, 8564–8572.
Conformational fluctuations in molten globule states of α-lactalbumin, Abhik Ghosh Moulick, J. Chakrabarti, Physical Chemistry Chemical Physics, 2022.
Effect of biphosphate salt on dipalmitoylphosphatidylcholine bilayer deformation by Tat polypeptide, P. Patra, R. Banerjee, J. Chakrabarti, Biopolymer, Biopolymer, 2022.
Effective single component description of steady state structures of passive particles in an active bath, J. P. Singh, S. Pattanayak, S. Mishra, J. Chakrabarti, The Journal of Chemical Physics, 2022.
Correlated dipolar and dihedral fluctuations in a protein, Abhik Ghosh Moulick, J. Chakrabarti, Chemical Physics Letters, 2022.
Immune escape facilitation by mutations of epitope residues in RdRp of SARS-CoV-2, Aayatti Mallick Gupta, SasthiCharan Mandal, Sukhendu Mandal, Jaydeb Chakrabarti, Journal of Biomolecular Structure and Dynamics, 2022.
Viscoelastic response of fluid trapped between two dissimilar van der Waals surfaces, Edwin Tendong, , Tanusri Saha-Dasgupta, Jaydeb Chakrabarti, Journal of Physics: Condensed Matter, 2022.
Quantum chemical studies on chelation in nano-bio conjugate between ZnO nanoparticles and cellular energy carrier molecules, Mausumi Ray, Sasthi Charan Mandal, Jaydeb Chakrabarti, Materials Chemistry and Physics, 2022.
Long-ranged order in a thermally driven system with temperature dependent interactions, Rahul Karmakar, Jaydeb Chakrabarti, Soft matter, 2022.
2021
2D-Molybdenum Disulfide-derived Ion Source for Mass Spectrometry, Pradeep et al., ACS Nano 2021 .
2020
Microscopic insight to specificity of metal ion cofactor in DNA cleavage by restriction endonuclease EcoRV, Sasthi Charan Mandal, Lakshmi Maganti, Manas Mandal, J Chakrabarti, Biopolymers, 2020.
Length-scales of dynamic heterogeneity in a driven binary colloid, S Dutta, J Chakrabarti, Physcial Chemistry Chemical Physics, 2020.
Control of solvent exposure of cationic polypeptides in anionic environment, P Patra, R Banerjee, J Chakrabarti, Chemical Physics Letters, 2020.
Dynamics of Water Trapped in Transition metal oxide-Graphene Nano-confinement. E Tendong, T Saha-Dasgupta, J Chakrabarti, Journal of Physics: Condensed Matter,2020.
Products of [2+2] Cycloaddition between a W≡Si Triple-bonded Complex and Alkynes: Isolation, Structure, and Non-classical Bonding Interaction, T Yoshimoto, H Hashimoto, M Ray, N Hayakawa, T Matsuo, J Chakrabarti, Chemistry Letters, 2020.
Stacking geometry between two sheared Watson-Crick basepairs: Computational chemistry and bioinformatics based prediction,S Maiti, D Mukherjee, P Roy, J Chakrabarti, D Bhattacharyya, Biochimica et Biophysica Acta (BBA)-General Subjects, 2020.
2019
Heterogeneity of dynamics in a modulated colloidal liquid, S. Pal, J. Chakrabarti, Journal Of Physics Condensed Matter, 2019.
Dynamic signature of ligand binding over a protein surface, S. Dutta, M. Ghosh, R. Karmakar, J. Chakrabarti, Physical Review E, 2019.
Self-assembly in amphiphilic macromolecules with solvent exposed hydrophobic moieties, S. Dutta, P. Patra, J. Chakrabarti, Biopolymers, 2019.
In slilico studies on conformational stability of flagellin-receptor complexes, S. Dutta, M. Ghosh, J. Chakrabarti, Journal of Biomolecular structure and Dynamics, 2019.
Structural and dynamic responses of calcium ion binding loop residues in metallo-proteins, S. Sikdar, M. Ghosh, A. Adak, J. Chakraborty, Biophysical Chemistry, 2019.
Rapid isotopic exchange in nano particles. Pradeep et al.,Sciences Advances, 2019 .
2018
Quantum chemical studies on anion specificity of CαNN motif in functional proteins. P Patra, M Ghosh, R Banerjee, J Chakrabarti - Journal of computer-aided molecular design, 2018.
Transient dynamical responses of a charged binary colloid in an electric field, S. Dutta and J. Chakrabarti, Soft matter, 2018.
Molecular dynamics simulations on interaction between bacterial proteins: Implication on pathogenic activities, M. Mandal, M. Ghosh and J. Chakrabarti, Proteins:Structure, function and bioinformatics, 2018 (cover article, 2018).
Allostery in Orai1 binding to Calmodulin revealed from conformational thermodynamics, L. Maganti, M. Ghosh and J. Chakrabarti, J. Biomolecular Structure and Dynamics, 2018.
2017
Microscopic insights to Orai1 binding to Calmodulin from conformational thermodynamics: Implications for allostery, Lakshmi Maganti, Sutapa Dutta, MahuaGhosh and J. Chakrabarti, J. Bio molecular Structure 10.1080/07391102.2017.1388289 (2017).
Static and dynamic properties of two dimensional Coulomb clusters, B. Ash, J. Chakrabarti and A. Ghosal, Phys. Rev. E, 96, 134518 (2017).
Anion induced conformational preference of Cα NN motif residues in functional proteins, Piya Patra, Mahua Ghosh, Raja Banerjee and Jaydeb Chakrabarti, Proteins:2017 (https://doi.org/10.1002/prot.25382).
SDS induced dissociation of STY3178 oligomer: experimental and molecular dynamics studies Paramita Saha, Samapan Sikdar, Camelia Manna,Jaydeb Chakrabarti and Mahua Ghosh, RSC advances, 2017, 7, 6209-6214.
Spatio-temporal coordination among functional residues in a protein, by Sutapa Dutta, Mahua Ghosh and J. Chakrabarti, Sci Rep., 2017, 7:40439;doi:10.1038/srep40439.
2016
Anomalous dynamical responses in a driven system, S. Dutta and J. Chakrabarti, Europhys. Lett, 116, 38001 (2016).
Reversible thermal unfolding of a yfdX protein with chaperone-like activity, Saha P, Manna C, Chakrabarti Jaydeb and Ghosh Mahua, Sci Rep. 2016, 6:29541; doi:10.1038/srep29541.
Spatio-temporal correlations in Coulomb clusters, Biswarup Ash, J. Chakrabarti and Amit Ghosal, Europhysics Letters 114(4):46001, 2016.
Quantum chemical studies on nucleophilic sites in calcium ion bound Zwitterionic calmodulin loops, S Sikdar, M Ghosh, M De Raychaudhury and J Chakrabarti, RSC. Adv. 2016, 6, 54608-54614.
Time dependent correlation between dihedral angles as probe for long range communication in proteins, Amit Das, Mahua Ghosh and J. Chakrabarti, Chem Phys Lett, 2016, 645, 200-204.
Conformational thermodynamics guided structural reconstruction of bio-molecular fragments, Samapan Sikdar, J. Chakrabarti and Mahua Ghosh, Molecular Biosystems, 2016, 12(2), 444-453.
Hybrid simulation approach incorporating microscopic interaction along with rigid body degrees of freedom for stacking between base pairs, Mondal M, Halder S, Chakrabarti J and Bhattacharyya D., Biopolymers, 105(4):212-26, 2016.
2015
Quantum chemical studies on stability and chemical activities in calcium ion bound calmodulin loops, Samapan Sikdar, Mahua Ghosh, Molly De Raychaudhury and J.Chakrabarti, J. Phys. Chem. B, 2015, 119, 14652-14659.
Conformational thermodynamics of biomolecular complexes: The histogram-based method, Das A, Sikdar S, Ghosh Mahua, Chakrabarti J, Journal of Physics: Conference Series. 2015;638:012013.
Role of indirect readout mechanism in TATA box binding protein-DNA interaction Manas Mondal, Devapriya Choudhury, Jaydeb Chakrabarti, Dhananjay Bhattacharyya Journal of Computer-Aided Molecular Design 29(3): 283-295 (2015).
Analytical form of forces in hydrophobic collapse, J. Chakrabarti and Suman Dutta, Chem Phys Lett, 605-620, 109-113 (2015).
2014
A microscopic insight from conformational thermodynamics to functional ligand binding in proteins, Samapan Sikdar, J. Chakrabarti and Mahua Ghosh, Molecular Biosystems, 2014,10, 3280-3289.
Coalescence of atomically precise slusters on graphenic surfaces, Atanu Ghosh, T. Pradeep and Jaydeb Chakrabarti, J. Phys. Chem. C, 118 13959–13964 (2014).
Quantum chemical studies on the role of residues in calcium binding to Calmodulin, Samapan Sikdar, Mahua Ghosh, Molly De Raychaudhury and J. Chakrabarti, Chem Phys Lett, 2014, 605, 103-107 (2014).
Thermodynamics of interfacial changes in a protein-protein complex, Amit Das, J. Chakrabarti and Mahua Ghosh, Molecular Biosystems, 10, 437-445, (2014).
2013
Cross-over between central and non-central conservative effective forces in a modulated colloidal fluid, C. Basu Chaudhuri, S. Chakrabarty and J. Chakrabarti, J. Chem. Phys. , DOI: 10.1063/1.4832735 (2013).
Microscopic Mechanisms of Confinement Induced Slow Solvation, Amit Das and J. Chakrabarti, J. Phys. Chem A, 117, 10571 (2013).
Conformational thermodynamics of metal-ion binding to a protein, Amit Das, J. Chakrabarti and Mahua Ghosh, Chem Phys Lett, 581, 91 (2013).
Conformational contribution to thermodynamics of binding in protein-peptide complexes through microscopic simulation, Amit Das, J. Chakrabarti and Mahua Ghosh, Biophysical Journal, 104, 1274 (2013).
Dipolar solute rotation in ionic liquids, electrolyte solutions and common polar solvents: Emergence of universality, Amit Das, Ranjit Biswas and J. Chakrabarti, Chem Phys Lett, 558, 36 (2013).