about
Transferring the PRIMO Coarse-Grained Force Field to the Membrane Environment: Simulations of Membrane Proteins and Helix-Helix Association.The Evolutionarily Conserved C-terminal Domains in the Mammalian Retinoblastoma Tumor Suppressor Family Serve as Dual Regulators of Protein Stability and Transcriptional Potency.Dispersion terms and analysis of size- and charge dependence in an enhanced Poisson-Boltzmann approach.Recent advances in transferable coarse-grained modeling of proteins.Hybrid All-Atom/Coarse-Grained Simulations of Proteins by Direct Coupling of CHARMM and PRIMO Force Fields.Importance of polar solvation and configurational entropy for design of antiretroviral drugs targeting HIV-1 protease.Energetics of mutation-induced changes in potency of lersivirine against HIV-1 reverse transcriptase.Systematic study of the boundary composition in Poisson Boltzmann calculationsOrigin of decrease in potency of darunavir and two related antiviral inhibitors against HIV-2 compared to HIV-1 proteaseEnergetic basis for drug resistance of HIV-1 protease mutants against amprenavirMicrocanonical replica exchange molecular dynamics simulation of proteinsMutation-induced loop opening and energetics for binding of tamiflu to influenza N8 neuraminidaseImportance of polar solvation for cross-reactivity of antibody and its variants with steroidsExploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulationsInvestigating specificity of the anti-hypertensive inhibitor WNK463 against With-No-Lysine kinase family isoforms via multiscale simulationsInvestigating Phosphorylation-Induced Conformational Changes in WNK1 Kinase by Molecular Dynamics SimulationsElucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations
P50
Q34045001-01F274B4-7AC6-4830-A38D-05CB5660B704Q35860784-F5F7856F-EFC7-4029-BDAE-AF74D15B477EQ36876744-A6AAE057-39ED-4BF9-BBDC-E0873FF95066Q37721126-EBD55B6C-64DD-482E-89DD-F33750AD7ED5Q47675899-6A7EBBAD-E4BD-4217-9C9C-98237284AE21Q51044859-D612F27C-D951-49D1-8D6B-BC0B774C3F65Q54511899-E4079E11-4C1F-4686-ADDE-D22218276B9FQ80338253-78EDE03F-0D2B-410B-8CC7-A66F13CC7276Q83331103-7833EC0A-2603-42F0-AEA3-ABB58E27408BQ83476926-31F95062-DCA6-4CB1-80F6-086782F7A33FQ83990218-42861BD7-C3A9-4D6C-B1A3-EF18A5B9426FQ84064221-7CCAA685-3195-4406-9E7E-AA0B34518AF7Q84147483-35E51191-9A78-497B-9396-0E2E37A639A9Q89449188-8C5ECC58-FEE8-4F8F-8E91-3DE54F024C66Q90264276-885B9974-EAF9-455B-B93D-DB2EB31677B1Q90964537-5D90AA44-FA0D-459A-91B6-8C844CEBCFB3Q94588045-44A690BA-19F9-425E-9CB4-D407878D4FE4
P50
description
investigador
@es
researcher
@en
wetenschapper
@nl
name
Parimal Kar
@en
Parimal Kar
@nl
type
label
Parimal Kar
@en
Parimal Kar
@nl
prefLabel
Parimal Kar
@en
Parimal Kar
@nl
P31
P496
0000-0001-8451-9739