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1962 1
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Page 1
Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD.
Chen H, Maia JDC, Radak BK, Hardy DJ, Cai W, Chipot C, Tajkhorshid E. Chen H, et al. Among authors: radak bk. J Chem Inf Model. 2020 Nov 23;60(11):5301-5307. doi: 10.1021/acs.jcim.0c00745. Epub 2020 Sep 1. J Chem Inf Model. 2020. PMID: 32805108 Free PMC article.
Rigorous Free Energy Simulations in Virtual Screening.
Cournia Z, Allen BK, Beuming T, Pearlman DA, Radak BK, Sherman W. Cournia Z, et al. Among authors: radak bk. J Chem Inf Model. 2020 Sep 28;60(9):4153-4169. doi: 10.1021/acs.jcim.0c00116. Epub 2020 Jun 16. J Chem Inf Model. 2020. PMID: 32539386
Multiscale methods for computational RNA enzymology.
Panteva MT, Dissanayake T, Chen H, Radak BK, Kuechler ER, Giambaşu GM, Lee TS, York DM. Panteva MT, et al. Among authors: radak bk. Methods Enzymol. 2015;553:335-74. doi: 10.1016/bs.mie.2014.10.064. Epub 2015 Jan 22. Methods Enzymol. 2015. PMID: 25726472 Free PMC article.
Scalable molecular dynamics on CPU and GPU architectures with NAMD.
Phillips JC, Hardy DJ, Maia JDC, Stone JE, Ribeiro JV, Bernardi RC, Buch R, Fiorin G, Hénin J, Jiang W, McGreevy R, Melo MCR, Radak BK, Skeel RD, Singharoy A, Wang Y, Roux B, Aksimentiev A, Luthey-Schulten Z, Kalé LV, Schulten K, Chipot C, Tajkhorshid E. Phillips JC, et al. Among authors: radak bk. J Chem Phys. 2020 Jul 28;153(4):044130. doi: 10.1063/5.0014475. J Chem Phys. 2020. PMID: 32752662 Free PMC article.
30 results