Author details

Full Name

Robert D Skeel

Affiliation

ORCID

Career Start Year

2000

Papers

H Index

Expertise

CM4AI Collaborator

PMID	Paper Title	Journal Title	Published Year
33858159	Multilevel summation for periodic electrostatics using B-splines.	Journal of Chemical Physics	2021
33291927	Data-guided Multi-Map variables for ensemble refinement of molecular movies.	Journal of Chemical Physics	2020
32752662	Scalable molecular dynamics on CPU and GPU architectures with NAMD.	J Chem Phys	2020
29225509	A minimization principle for transition paths of maximum flux for collective variables.	Theoretical Chemistry Accounts	2017
26772590	Erratum: "Compressible generalized hybrid Monte Carlo" [J. Chem. Phys. 140, 174108 (2014)].	Journal of Chemical Physics	2016
27004867	Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations.	Journal of Chemical Physics	2016
25691833	Multilevel summation method for electrostatic force evaluation.	Journal of Chemical Theory and Computation	2015
24811626	Compressible generalized hybrid Monte Carlo.	Journal of Chemical Physics	2014
22448785	Î±C helix as a switch in the conformational transition of Src/CDK-like kinase domains.	Journal of Physical Chemistry B	2012
21244843	Dual role of protein phosphorylation in DNA activator/coactivator binding.	Biophysical Journal	2011
20890401	Maximum Flux Transition Paths of Conformational Change.	Journal of Chemical Theory and Computation	2010
20539750	ON ENERGY CONSERVATION OF THE SIMPLIFIED TAKAHASHI-IMADA METHOD.		2009
20084278	WHAT MAKES MOLECULAR DYNAMICS WORK?	SIAM Journal of Scientific Computing	2009
19894997	A separable shadow Hamiltonian hybrid Monte Carlo method.	Journal of Chemical Physics	2009
18591998	Correcting Mesh-Based Force Calculations to Conserve Both Energy and Momentum in Molecular Dynamics Simulations.	Journal of Computational Physics	2007
16268681	Fast evaluation of polarizable forces.	Journal of Chemical Physics	2005
16222654	Scalable molecular dynamics with NAMD.	J Comput Chem	2005
14507681	Robust biased Brownian dynamics for rate constant calculation.	Biophysical Journal	2003
11939600	Multiple grid methods for classical molecular dynamics.	Journal of Computational Chemistry	2002
10919998	Biased Brownian dynamics for rate constant calculation.	Biophys J	2000