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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.
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.
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
Multiple grid methods for classical molecular dynamics.
Skeel RD, Tezcan I, Hardy DJ. Skeel RD, et al. J Comput Chem. 2002 Apr 30;23(6):673-84. doi: 10.1002/jcc.10072. J Comput Chem. 2002. PMID: 11939600
Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations.
Hardy DJ, Wolff MA, Xia J, Schulten K, Skeel RD. Hardy DJ, et al. Among authors: skeel rd. J Chem Phys. 2016 Mar 21;144(11):114112. doi: 10.1063/1.4943868. J Chem Phys. 2016. PMID: 27004867 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.
αC helix as a switch in the conformational transition of Src/CDK-like kinase domains.
Huang H, Zhao R, Dickson BM, Skeel RD, Post CB. Huang H, et al. Among authors: skeel rd. J Phys Chem B. 2012 Apr 19;116(15):4465-75. doi: 10.1021/jp301628r. Epub 2012 Apr 5. J Phys Chem B. 2012. PMID: 22448785 Free PMC article.
Erratum: "Compressible generalized hybrid Monte Carlo" [J. Chem. Phys. 140, 174108 (2014)].
Fang Y, Sanz-Serna JM, Skeel RD. Fang Y, et al. Among authors: skeel rd. J Chem Phys. 2016 Jan 14;144(2):029901. doi: 10.1063/1.4940219. J Chem Phys. 2016. PMID: 26772590 No abstract available.
Compressible generalized hybrid Monte Carlo.
Fang Y, Sanz-Serna JM, Skeel RD. Fang Y, et al. Among authors: skeel rd. J Chem Phys. 2014 May 7;140(17):174108. doi: 10.1063/1.4874000. J Chem Phys. 2014. PMID: 24811626
A separable shadow Hamiltonian hybrid Monte Carlo method.
Sweet CR, Hampton SS, Skeel RD, Izaguirre JA. Sweet CR, et al. Among authors: skeel rd. J Chem Phys. 2009 Nov 7;131(17):174106. doi: 10.1063/1.3253687. J Chem Phys. 2009. PMID: 19894997 Free PMC article.
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