| Year |
Citation |
Score |
| 2024 |
Mondal S, Karmakar T. Insights into the mechanism of peptide fibril growth on gold surface. Biophysical Chemistry. 310: 107237. PMID 38640598 DOI: 10.1016/j.bpc.2024.107237 |
0.666 |
|
| 2023 |
Karmakar T, Finney AR, Salvalaglio M, Yazaydin AO, Perego C. Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations. Accounts of Chemical Research. 56: 1156-1167. PMID 37120847 DOI: 10.1021/acs.accounts.2c00811 |
0.675 |
|
| 2023 |
Das B, Yadav R, Sharma A, Karmakar T, Kundu S. Cyclic(alkyl)(amino)carbene (CAAC)- and bicyclic (alkyl)(amino)carbene (BICAAC)-derived glyoxal radical cations with excellent stability. Chemical Communications (Cambridge, England). 59: 5285-5288. PMID 37060115 DOI: 10.1039/d3cc00200d |
0.267 |
|
| 2023 |
Tiwari V, Garg S, Karmakar T. Insights into the Interactions of Peptides with Monolayer-Protected Metal Nanoclusters. Acs Applied Bio Materials. PMID 36820798 DOI: 10.1021/acsabm.2c00997 |
0.704 |
|
| 2023 |
Singh S, Mondal S, Tiwari V, Karmakar T, Hazra CK. Cooperative Friedel-Crafts Alkylation of Electron-Deficient Arenes via Catalyst Activation with Hexafluoroisopropanol. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 36680470 DOI: 10.1002/chem.202300180 |
0.708 |
|
| 2023 |
Sharma A, Mondal S, Ahuja T, Karmakar T, Siddhanta S. Ion-Mediated Protein Stabilization on Nanoscopic Surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 36622301 DOI: 10.1021/acs.langmuir.2c03010 |
0.68 |
|
| 2022 |
Tiwari V, Mondal S, Kumari N, Karmakar T. Collective Variables for Crystallization Simulations-from Early Developments to Recent Advances. Acs Omega. 8: 127-146. PMID 36643553 DOI: 10.1021/acsomega.2c06310 |
0.688 |
|
| 2022 |
Tyagi A, Mondal S, Tiwari V, Karmakar T, Kundu S. Understanding cyclic(alkyl)(amino)carbene-copper complex catalysed N-H and O-H bond addition to electron deficient olefins. Chemical Communications (Cambridge, England). 59: 110-113. PMID 36477167 DOI: 10.1039/d2cc05613e |
0.707 |
|
| 2022 |
Bjelobrk Z, Rajagopalan AK, Mendels D, Karmakar T, Parrinello M, Mazzotti M. Solubility of Organic Salts in Solvent-Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach. Journal of Chemical Theory and Computation. 18: 4952-4959. PMID 35833664 DOI: 10.1021/acs.jctc.2c00304 |
0.55 |
|
| 2022 |
Dolui P, Tiwari V, Saini P, Karmakar T, Makhal K, Goel H, Elias AJ. A Catalyst and Solvent Free Route for the Synthesis of N-Substituted Pyrrolidones from Levulinic Acid. Chemistry (Weinheim An Der Bergstrasse, Germany). e202200829. PMID 35579503 DOI: 10.1002/chem.202200829 |
0.722 |
|
| 2022 |
Dalal A, Kushwaha T, Choudhir G, Inampudi KK, Karmakar T, Hariprasad P, Gholap SL. Computational investigations on the potential role of hygrophorones as quorum sensing inhibitors against LasR protein of . Journal of Biomolecular Structure & Dynamics. 1-11. PMID 35075974 DOI: 10.1080/07391102.2022.2029570 |
0.314 |
|
| 2021 |
Yang M, Karmakar T, Parrinello M. Liquid-Liquid Critical Point in Phosphorus. Physical Review Letters. 127: 080603. PMID 34477397 DOI: 10.1103/PhysRevLett.127.080603 |
0.453 |
|
| 2021 |
Dongre AV, Das S, Bellur A, Kumar S, Chandrashekarmath A, Karmakar T, Balaram P, Balasubramanian S, Balaram H. Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation. Biophysical Journal. PMID 34302792 DOI: 10.1016/j.bpj.2021.07.014 |
0.677 |
|
| 2020 |
Ansari N, Karmakar T, Parrinello M. Molecular Mechanism of Gas Solubility in Liquid: Constant Chemical Potential Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. PMID 32551636 DOI: 10.1021/Acs.Jctc.0C00450 |
0.479 |
|
| 2019 |
Karmakar T, Piaggi PM, Parrinello M. Molecular Dynamics Simulations of Crystal Nucleation from Solution at Constant Chemical Potential. Journal of Chemical Theory and Computation. PMID 31657927 DOI: 10.1021/Acs.Jctc.9B00795 |
0.746 |
|
| 2018 |
Karmakar T, Piaggi PM, Perego C, Parrinello M. A Cannibalistic Approach to Grand Canonical Crystal Growth. Journal of Chemical Theory and Computation. PMID 29589924 DOI: 10.1021/Acs.Jctc.8B00191 |
0.733 |
|
| 2016 |
Das S, Karmakar T, Balasubramanian S. Molecular Mechanism Behind Solvent Concentration Dependent Optimal Activity of Thermomyces Lanuginosus Lipase in Biocompatible Ionic Liquid: Interfacial Activation Through Arginine Switch. The Journal of Physical Chemistry. B. PMID 27779408 DOI: 10.1021/acs.jpcb.6b08534 |
0.614 |
|
| 2016 |
Karmakar T, Balasubramanian S. Molecular Dynamics and Free Energy Simulations of Phenylacetate and CO2 Release from AMDase and its G74C/C188S Mutant: A Possible Rationale for the Reduced Activity of the Latter. The Journal of Physical Chemistry. B. PMID 27775347 DOI: 10.1021/acs.jpcb.6b07034 |
0.606 |
|
| 2016 |
Roy S, Karmakar T, Nagappa LK, Prahlada Rao VS, Balasubramanian S, Balaram H. Role of W181 in Modulating Kinetic Properties of Plasmodium falciparum Hypoxanthine Guanine Xanthine Phosphoribosyltransferase. Proteins. PMID 27479359 DOI: 10.1002/prot.25107 |
0.611 |
|
| 2016 |
Karmakar T, Roy S, Balaram H, Prakash MK, Balasubramanian S. Product Release Pathways in Human and Plasmodium falciparum Phosphoribosyltransferase. Journal of Chemical Information and Modeling. PMID 27404508 DOI: 10.1021/acs.jcim.6b00203 |
0.611 |
|
| 2015 |
Karmakar T, Roy S, Balaram H, Balasubramanian S. Structural and Dynamical Correlations in PfHGXPRT Oligomers: A Molecular Dynamics Simulation Study. Journal of Biomolecular Structure & Dynamics. 1-28. PMID 26441001 DOI: 10.1080/07391102.2015.1085441 |
0.629 |
|
| 2015 |
Roy S, Karmakar T, Prahlada Rao VS, Nagappa LK, Balasubramanian S, Balaram H. Slow ligand-induced conformational switch increases the catalytic rate in Plasmodium falciparum hypoxanthine guanine xanthine phosphoribosyltransferase. Molecular Biosystems. 11: 1410-24. PMID 25824378 DOI: 10.1039/c5mb00136f |
0.605 |
|
| 2013 |
Karmakar T, Periyasamy G, Balasubramanian S. CO2 migration pathways in oxalate decarboxylase and clues about its active site. The Journal of Physical Chemistry. B. 117: 12451-60. PMID 24053484 DOI: 10.1021/jp4074834 |
0.615 |
|
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