| Year |
Citation |
Score |
| 2020 |
Sk MF, Jonniya NA, Kar P. Exploring the energetic basis of binding of currently used drugs against HIV-1 subtype CRF01_AE protease via molecular dynamics simulations. Journal of Biomolecular Structure & Dynamics. 1-18. PMID 32696717 DOI: 10.1080/07391102.2020.1794965 |
0.375 |
|
| 2020 |
Sk MF, Roy R, Jonniya NA, Poddar S, Kar P. Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations. Journal of Biomolecular Structure & Dynamics. 1-21. PMID 32396767 DOI: 10.1080/07391102.2020.1768149 |
0.368 |
|
| 2020 |
Sk MF, Roy R, Kar P. Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulations. Journal of Biomolecular Structure & Dynamics. 1-30. PMID 32000612 DOI: 10.1080/07391102.2020.1724196 |
0.339 |
|
| 2019 |
Jonniya NA, Kar P. Investigating specificity of the anti-hypertensive inhibitor WNK463 against With-No-Lysine kinase family isoforms via multiscale simulations. Journal of Biomolecular Structure & Dynamics. 1-16. PMID 31017050 DOI: 10.1080/07391102.2019.1602079 |
0.325 |
|
| 2017 |
Kar P, Feig M. Hybrid All-Atom/Coarse-Grained Simulations of Proteins by Direct Coupling of CHARMM and PRIMO Force Fields. Journal of Chemical Theory and Computation. PMID 28992696 DOI: 10.1021/Acs.Jctc.7B00840 |
0.332 |
|
| 2014 |
Kar P, Gopal SM, Cheng YM, Panahi A, Feig M. Transferring the PRIMO Coarse-Grained Force Field to the Membrane Environment: Simulations of Membrane Proteins and Helix-Helix Association. Journal of Chemical Theory and Computation. 10: 3459-3472. PMID 25136271 DOI: 10.1021/Ct500443V |
0.321 |
|
| 2014 |
Kar P, Feig M. PRIMO-M: An Extension of the Coarse-Grained Force Field Primo to the Membrane Environment Biophysical Journal. 106: 462a. DOI: 10.1016/J.Bpj.2013.11.2619 |
0.321 |
|
| 2013 |
Kar P, Gopal SM, Cheng YM, Predeus A, Feig M. PRIMO: A Transferable Coarse-grained Force Field for Proteins. Journal of Chemical Theory and Computation. 9: 3769-3788. PMID 23997693 DOI: 10.1021/Ct400230Y |
0.328 |
|
| 2013 |
Kar P, Lipowsky R, Knecht V. Importance of polar solvation and configurational entropy for design of antiretroviral drugs targeting HIV-1 protease. The Journal of Physical Chemistry. B. 117: 5793-805. PMID 23614718 DOI: 10.1021/Jp3085292 |
0.353 |
|
| 2012 |
Kar P, Knecht V. Energetics of mutation-induced changes in potency of lersivirine against HIV-1 reverse transcriptase. The Journal of Physical Chemistry. B. 116: 6269-78. PMID 22574920 DOI: 10.1021/Jp300818C |
0.302 |
|
| 2012 |
Kar P, Knecht V. Mutation-induced loop opening and energetics for binding of tamiflu to influenza N8 neuraminidase. The Journal of Physical Chemistry. B. 116: 6137-49. PMID 22553951 DOI: 10.1021/Jp3022612 |
0.332 |
|
| 2012 |
Kar P, Knecht V. Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir. Journal of Computer-Aided Molecular Design. 26: 215-32. PMID 22350569 DOI: 10.1007/S10822-012-9550-5 |
0.351 |
|
| 2011 |
Kar P, Lipowsky R, Knecht V. Importance of polar solvation for cross-reactivity of antibody and its variants with steroids. The Journal of Physical Chemistry. B. 115: 7661-9. PMID 21595427 DOI: 10.1021/Jp201538T |
0.311 |
|
| 2007 |
Kar P, Seel M, Hansmann UH, Höfinger S. Dispersion terms and analysis of size- and charge dependence in an enhanced Poisson-Boltzmann approach. The Journal of Physical Chemistry. B. 111: 8910-8. PMID 17628098 DOI: 10.1021/Jp072302U |
0.322 |
|
| 2007 |
Kar P, Wei Y, Hansmann UH, Höfinger S. Systematic study of the boundary composition in Poisson Boltzmann calculations. Journal of Computational Chemistry. 28: 2538-44. PMID 17503456 DOI: 10.1002/Jcc.20698 |
0.453 |
|
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