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Tarak Karmakar
Tarak Karmakar
Assistant professor at IIT Delhi (Computational Chem. Biol. & Mat.)
Verified email at chemistry.iitd.ac.in - Homepage
Title
Cited by
Cited by
Year
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
412018
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
352019
Liquid-Liquid Critical Point in Phosphorus
M Yang, T Karmakar, M Parrinello
Physical Review Letters 127, 080603, 2021
332021
Collective Variables for the Study of Crystallization
T Karmakar, M Invernizzi, V Rizzi, M Parrinello
Molecular Physics, 2021, 2021
292021
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
242018
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
232019
Solubility prediction of organic molecules with molecular dynamics simulations
Z Bjelobrk, D Mendels, T Karmakar, M Parrinello, M Mazzotti
Crystal Growth & Design, 2021
202021
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
182013
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
172016
Cooperative Friedel‐Crafts Alkylation of Electron‐Deficient Arenes via Catalyst Activation with Hexafluoroisopropanol
S Singh, S Mondal, V Tiwari, T Karmakar, CK Hazra
Chemistry–A European Journal, 2023
132023
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
122015
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
122013
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
112019
Collective Variables for Crystallization Simulations--from Early Developments to Recent Advances
Neha, V Tiwari, S Mondal, N Kumari, T Karmakar
ACS Omega 8 (1), 127-146, 2022
102022
Understanding proton affinity of tyrosine sidechain in hydrophobic confinement#
TG Abi, T Karmakar, S Taraphder
Journal of Chemical Sciences 124, 59-63, 2012
82012
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
72020
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
72016
Elucidating the interaction of H2O2 with polar amino acids – Quantum chemical calculations
T Karmakar, S Balasubramanian
Chemical Physics Letter 613, 5-9, 2014
62014
Synthesis and Applications of π−Conjugation Extended Vinyl Sulfoxonium Ylides
S Kumar, D Davas, K Bar, D Gopalakrishnan, D Kumar, T Karmakar, ...
Organic Letters, 2023
52023
Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation
AV Dongre, S Das, A Bellur, S Kumar, A Chandrashekarmath, T Karmakar, ...
Biophysical journal 120 (17), 3732-3746, 2021
52021
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