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The Journal of Physical Chemistry. B|October 28, 2024
Accuracy and Reproducibility of Lipari-Szabo Order Parameters From Molecular DynamicsThanh T Lai, Charles L BrooksJournal 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 BrooksThe Journal of Physical Chemistry Letters|March 20, 2026
Sampling the Grand Canonical Ensemble with Multisite λ DynamicsThanh T Lai, Charles L Brooks IiiJournal of Chemical Information and Modeling|May 8, 2024
Exploring the Limits of the Generalized CHARMM and AMBER Force Fields through Predictions of Hydration Free Energy of Small MoleculesArghya Chakravorty, Azam Hussain, Luis F Cervantes, et al.Journal of Chemical Theory and Computation|June 2, 2023
pyCHARMM: Embedding CHARMM Functionality in a Python FrameworkJoshua Buckner, Xiaorong Liu, Arghya Chakravorty, et al.Accounts of Chemical Research|June 19, 2002
Protein and peptide folding explored with molecular simulationsCharles L BrooksProtein Science : a Publication of the Protein Society|September 19, 2002
The origins of asymmetry in the folding transition states of protein L and protein GJohn Karanicolas, Charles L BrooksBiochemistry|May 20, 2011
Functional impact of manipulation on the relative orientation of human prolactin receptor domainsWei Liu, Charles L BrooksProteins|May 29, 2009
Predicting structurally conserved contacts for homologous proteins using sequence conservation filtersMayako Michino, Charles L BrooksPageof 31