Parimal Kar
Title
Cited by
Cited by
Year
PRIMO: a transferable coarse-grained force field for proteins
P Kar, SM Gopal, YM Cheng, A Predeus, M Feig
Journal of chemical theory and computation 9 (8), 3769-3788, 2013
712013
Origin of decrease in potency of darunavir and two related antiviral inhibitors against HIV-2 compared to HIV-1 protease
P Kar, V Knecht
The Journal of Physical Chemistry B 116 (8), 2605-2614, 2012
472012
Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir
P Kar, V Knecht
Journal of computer-aided molecular design 26 (2), 215-232, 2012
442012
Recent advances in transferable coarse-grained modeling of proteins
P Kar, M Feig
Advances in protein chemistry and structural biology 96, 143-180, 2014
302014
Importance of polar solvation and configurational entropy for design of antiretroviral drugs targeting HIV-1 protease
P Kar, R Lipowsky, V Knecht
The Journal of Physical Chemistry B 117 (19), 5793-5805, 2013
302013
Microcanonical replica exchange molecular dynamics simulation of proteins
P Kar, W Nadler, UHE Hansmann
Physical Review E 80 (5), 056703, 2009
282009
Importance of polar solvation for cross-reactivity of antibody and its variants with steroids
P Kar, R Lipowsky, V Knecht
The Journal of Physical Chemistry B 115 (23), 7661-7669, 2011
272011
Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations
MF Sk, R Roy, NA Jonniya, S Poddar, P Kar
Journal of Biomolecular Structure and Dynamics, 1-13, 2020
242020
Hybrid all-atom/coarse-grained simulations of proteins by direct coupling of CHARMM and PRIMO force fields
P Kar, M Feig
Journal of chemical theory and computation 13 (11), 5753-5765, 2017
242017
Mutation-induced loop opening and energetics for binding of tamiflu to influenza N8 neuraminidase
P Kar, V Knecht
The Journal of Physical Chemistry B 116 (21), 6137-6149, 2012
242012
Transferring the primo coarse-grained force field to the membrane environment: simulations of membrane proteins and helix–helix association
P Kar, SM Gopal, YM Cheng, A Panahi, M Feig
Journal of chemical theory and computation 10 (8), 3459-3472, 2014
212014
Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2 via RNA‐dependent RNA polymerase (RdRp) inhibition: an in-silico analysis
S Singh, MF Sk, A Sonawane, P Kar, S Sadhukhan
Journal of Biomolecular Structure and Dynamics, 1-16, 2020
182020
Theoretical mimicry of biomembranes
P Kar, M Seel, T Weidemann, S Höfinger
FEBS letters 583 (12), 1909-1915, 2009
182009
Energetics of mutation-induced changes in potency of lersivirine against HIV-1 reverse transcriptase
P Kar, V Knecht
The Journal of Physical Chemistry B 116 (22), 6269-6278, 2012
172012
Dispersion Terms and Analysis of Size-and Charge Dependence in an Enhanced Poisson− Boltzmann Approach
P Kar, M Seel, UHE Hansmann, S Höfinger
The Journal of Physical Chemistry B 111 (30), 8910-8918, 2007
162007
Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulations
MF Sk, R Roy, P Kar
Journal of Biomolecular Structure and Dynamics, 1-16, 2020
152020
Investigating phosphorylation-induced conformational changes in WNK1 kinase by molecular dynamics simulations
NA Jonniya, MF Sk, P Kar
ACS omega 4 (17), 17404-17416, 2019
142019
Anti-hemagglutinin antibody derived lead peptides for inhibitors of influenza virus binding
H Memczak, D Lauster, P Kar, S Di Lella, R Volkmer, V Knecht, ...
PLoS One 11 (7), e0159074, 2016
142016
Systematic study of the boundary composition in Poisson Boltzmann calculations
P Kar, Y Wei, UHE Hansmann, S Höfinger
Journal of computational chemistry 28 (16), 2538-2544, 2007
142007
Investigating specificity of the anti-hypertensive inhibitor WNK463 against With-No-Lysine kinase family isoforms via multiscale simulations
NA Jonniya, P Kar
Journal of Biomolecular Structure and Dynamics, 2019
132019
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Articles 1–20