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Journal of Chemical Theory and Computation|August 20, 2025
Simultaneous Construction of Free Energy Surfaces via Multisite λ Dynamics and Umbrella SamplingThanh T Lai, Charles L BrooksJournal of Chemical Theory and Computation|January 17, 2024
Enhanced Sampling of Buried Charges in Free Energy Calculations Using Replica Exchange with Charge TemperingXiaorong Liu, Charles L Brooks IiiJournal of the American Chemical Society|September 3, 2010
Selective complexation of K+ and Na+ in simple polarizable ion-ligating systemsDavid L Bostick, Charles L BrooksJournal of the American Chemical Society|July 17, 2003
How dihydrofolate reductase facilitates protonation of dihydrofolateThomas H Rod, Charles L BrooksPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|July 23, 2008
Tilable nature of virus capsids and the role of topological constraints in natural capsid designRanjan V Mannige, Charles L BrooksJournal of Molecular Biology|July 23, 2008
Subdomain competition, cooperativity, and topological frustration in the folding of CheYRonald D Hills, Charles L BrooksJournal of the American Chemical Society|September 15, 2005
Conformational substates modulate hydride transfer in dihydrofolate reductaseIan F Thorpe, Charles L BrooksJournal of the American Chemical Society|March 28, 2009
Functionally important conformations of the Met20 loop in dihydrofolate reductase are populated by rapid thermal fluctuationsKarunesh Arora, Charles L Brooks IiiJournal of Chemical Theory and Computation|November 30, 2011
Multi-Site λ-dynamics for simulated Structure-Activity Relationship studiesJennifer L Knight, Charles L BrooksJournal of Computer-Aided Molecular Design|August 19, 2022
Covalent docking in CDOCKERYujin Wu, Charles L Brooks IiiPageof 44