Tarak Karmakar
Tarak Karmakar
Postdoc - ETH Zürich & USI Lugano (Computational Chem. Biol. & Mat.)
Verified email at phys.chem.ethz.ch - Homepage
Title
Cited by
Cited by
Year
A cannibalistic approach to grand canonical crystal growth
T Karmakar, PM Piaggi, C Perego, M Parrinello
Journal of chemical theory and computation 14 (5), 2678-2683, 2018
152018
Solvent-Mediated Morphology Selection of the Active Pharmaceutical Ingredient Isoniazid: Experimental and Simulation Studies
D Han, T Karmakar, Z Bjelobrk, J Gong, M Parrinello
Chemical Engineering Science, 2018
132018
Proton affinity of polar amino acid sidechain analogues anchored to the outer wall of single walled carbon nanotubes
TG Abi, T Karmakar, S Taraphder
Computational and Theoretical Chemistry 1010, 53-66, 2013
132013
CO2 Migration Pathways in Oxalate Decarboxylase and Clues about Its Active Site
T Karmakar, G Periyasamy, S Balasubramanian
The Journal of Physical Chemistry B 117 (41), 12451-12460, 2013
112013
Molecular Mechanism behind Solvent Concentration-Dependent Optimal Activity of Thermomyces lanuginosus Lipase in a Biocompatible Ionic Liquid: Interfacial Activation through …
S Das, T Karmakar, S Balasubramanian
The Journal of Physical Chemistry B 120, 11720–11732, 2016
92016
Naphthalene crystal shape prediction from molecular dynamics simulations
Z Bjelobrk, PM Piaggi, T Weber, T Karmakar, M Mazzotti, M Parrinello
CrystEngComm 21 (21), 3280-3288, 2019
72019
Slow ligand-induced conformational switch increases the catalytic rate in Plasmodium falciparum hypoxanthine guanine xanthine phosphoribosyltransferase
S Roy, T Karmakar, VSP Rao, LK Nagappa, S Balasubramanian, ...
Molecular Biosystems 11 (5), 1410-1424, 2015
72015
Understanding proton affinity of tyrosine sidechain in hydrophobic confinement
TG Abi, T Karmakar, S Taraphder
Journal of Chemical Sciences 124 (1), 59-63, 2012
52012
Molecular dynamics simulations of crystal nucleation from solution at constant chemical potential
T Karmakar, PM Piaggi, M Parrinello
Journal of Chemical Theory and Computation 15 (12), 6923-6930, 2019
42019
Product Release Pathways in Human and Plasmodium falciparum Phosphoribosyltransferase
T Karmakar, S Roy, H Balaram, MK Prakash, S Balasubramanian
Journal of chemical information and modeling 56 (8), 1528-1538, 2016
42016
Elucidating the interaction of H2O2 with polar amino acids – Quantum chemical calculations
T Karmakar, S Balasubramanian
Chemical Physics Letter 613, 5-9, 2014
42014
Structural and dynamical correlations in PfHGXPRT oligomers: A molecular dynamics simulation study
T Karmakar, S Roy, H Balaram, S Balasubramanian
Journal of Biomolecular Structure and Dynamics 34 (7), 1590-1605, 2016
32016
Molecular Dynamics and Free Energy Simulations of Phenylacetate and CO2 Release from AMDase and Its G74C/C188S Mutant: A Possible Rationale for the …
T Karmakar, S Balasubramanian
The Journal of Physical Chemistry B 120 (45), 11644-11653, 2016
12016
Molecular Mechanism of Gas Solubility in Liquid: Constant Chemical Potential Molecular Dynamics Simulations
N Ansari, T Karmakar, M Parrinello
Journal of chemical theory and computation 16 (8), 5279-5286, 2020
2020
Uncovering the Role of Surfactants in Controlling the Crystal Growth of Pyridoxine Hydrochloride
D Han, T Karmakar, F Liu, Y Wang, W Tang, J Gong
Crystal Growth & Design 19 (12), 7240-7248, 2019
2019
Simulations of Crystal Nucleation from Solution at Constant Chemical Potential
T Karmakar, PM Piaggi, M Parrinello
arXiv preprint arXiv:1907.04037, 2019
2019
Role of W181 in modulating kinetic properties of Plasmodium falciparum hypoxanthine guanine xanthine phosphoribosyltransferase
S Roy, T Karmakar, LK Nagappa, VS Prahlada Rao, S Balasubramanian, ...
Proteins: Structure, Function, and Bioinformatics 84 (11), 1658-1669, 2016
2016
Computational Investigations on Decarboxylase and Phosphoribosyltransferease Enzymes
T Karmakar
Jawaharlal Nehru Centre for Advanced Scientific Research, 2016
2016
Activation of Plasmodium falciparum Hypoxanthine Guanine Xanthine Phosphoribosyltransferase (PfHGXPRT) by Conformational Switch from a Low Active State to High Active State: 459
S Roy, T Karmakar, V Prahladrao, L Nagappa, S Balasubramanian, ...
Protein Science 22, 165-166, 2013
2013
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Articles 1–19