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List of works by Parimal Kar

A comparative study of structural and conformational properties of WNK kinase isoforms bound to an inhibitor: insights from molecular dynamic simulations

scientific article published on 05 October 2020

Dispersion terms and analysis of size- and charge dependence in an enhanced Poisson-Boltzmann approach.

scientific article published on 12 July 2007

Effect of Sulfation on the Conformational Dynamics of Dermatan Sulfate Glycosaminoglycan: A Gaussian Accelerated Molecular Dynamics Study

scientific article published in 2022

Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations

scientific article published on 12 May 2020

Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir

scientific article published on 14 February 2012

Energetics of mutation-induced changes in potency of lersivirine against HIV-1 reverse transcriptase.

scientific article

Exploring the energetic basis of binding of currently used drugs against HIV-1 subtype CRF01_AE protease via molecular dynamics simulations

scientific article published on 22 July 2020

Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulations

scientific article published on 12 February 2020

Hybrid All-Atom/Coarse-Grained Simulations of Proteins by Direct Coupling of CHARMM and PRIMO Force Fields

scientific article

Importance of polar solvation and configurational entropy for design of antiretroviral drugs targeting HIV-1 protease.

scientific article published on 8 May 2013

Importance of polar solvation for cross-reactivity of antibody and its variants with steroids

scientific article published on 19 May 2011

Investigating Phosphorylation-Induced Conformational Changes in WNK1 Kinase by Molecular Dynamics Simulations

scientific article published on 11 October 2019

Investigating specificity of the anti-hypertensive inhibitor WNK463 against With-No-Lysine kinase family isoforms via multiscale simulations

scientific article published on 24 April 2019

Investigating the mechanism of recognition and structural dynamics of nucleoprotein-RNA complex from Peste des petits ruminants virus via Gaussian accelerated molecular dynamics simulations

scientific article published on 22 October 2020

Microcanonical replica exchange molecular dynamics simulation of proteins

scientific article published on 18 November 2009

Mutation-induced loop opening and energetics for binding of tamiflu to influenza N8 neuraminidase

scientific article published on 17 May 2012

Origin of decrease in potency of darunavir and two related antiviral inhibitors against HIV-2 compared to HIV-1 protease

scientific article published on 14 February 2012

Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2 via RNA-dependent RNA polymerase (RdRp) inhibition: an in-silico analysis

scientific article published on 28 July 2020

Recent advances in transferable coarse-grained modeling of proteins.

scientific article published on 24 August 2014

Systematic study of the boundary composition in Poisson Boltzmann calculations

scientific article published on 01 December 2007

The Evolutionarily Conserved C-terminal Domains in the Mammalian Retinoblastoma Tumor Suppressor Family Serve as Dual Regulators of Protein Stability and Transcriptional Potency.

scientific article published on 22 April 2015

Transferring the PRIMO Coarse-Grained Force Field to the Membrane Environment: Simulations of Membrane Proteins and Helix-Helix Association

scientific article

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