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Scalable molecular dynamics with NAMD.
Phillips JC, Braun R, Wang W, Gumbart J, Tajkhorshid E, Villa E, Chipot C, Skeel RD, Kalé L, Schulten K. Phillips JC, et al. Among authors: skeel rd. J Comput Chem. 2005 Dec;26(16):1781-802. doi: 10.1002/jcc.20289. J Comput Chem. 2005. PMID: 16222654 Free PMC article.
Fast evaluation of polarizable forces.
Wang W, Skeel RD. Wang W, et al. Among authors: skeel rd. J Chem Phys. 2005 Oct 22;123(16):164107. doi: 10.1063/1.2056544. J Chem Phys. 2005. PMID: 16268681
Multilevel summation method for electrostatic force evaluation.
Hardy DJ, Wu Z, Phillips JC, Stone JE, Skeel RD, Schulten K. Hardy DJ, et al. Among authors: skeel rd. J Chem Theory Comput. 2015 Feb 10;11(2):766-79. doi: 10.1021/ct5009075. J Chem Theory Comput. 2015. PMID: 25691833 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: skeel rd. J Chem Phys. 2020 Jul 28;153(4):044130. doi: 10.1063/5.0014475. J Chem Phys. 2020. PMID: 32752662 Free PMC article.
Biased Brownian dynamics for rate constant calculation.
Zou G, Skeel RD, Subramaniam S. Zou G, et al. Among authors: skeel rd. Biophys J. 2000 Aug;79(2):638-45. doi: 10.1016/S0006-3495(00)76322-3. Biophys J. 2000. PMID: 10919998 Free PMC article.
20 results