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Journal of Computational Chemistry|June 9, 2004
Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulationsAlexander D Mackerell, Michael Feig, Charles L BrooksProteins|December 4, 2004
Receptor rigidity and ligand mobility in trypsin-ligand complexesOlgun Guvench, Daniel J Price, Charles L BrooksJournal of Chemical Theory and Computation|January 29, 2019
Fast Solver for Large Scale Multistate Bennett Acceptance Ratio EquationsXinqiang Ding, Jonah Z Vilseck, Charles L BrooksJournal of Chemical Theory and Computation|October 28, 2021
BLaDE: A Basic Lambda Dynamics Engine for GPU-Accelerated Molecular Dynamics Free Energy CalculationsRyan L Hayes, Joshua Buckner, Charles L BrooksBiochemistry|October 27, 2004
Mechanism for ordered receptor binding by human prolactinUmasundari Sivaprasad, Jeffrey M Canfield, Charles L BrooksJournal of Chemical Theory and Computation|February 18, 2010
An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular DynamicsRoger S Armen, Jianhan Chen, Charles L BrooksThe Journal of Chemical Physics|November 15, 2006
Harmonic Fourier beads method for studying rare events on rugged energy surfacesIlja V Khavrutskii, Karunesh Arora, Charles L BrooksJournal of the American Chemical Society|March 8, 2011
Cooperative and directional folding of the preQ1 riboswitch aptamer domainJun Feng, Nils G Walter, Charles L BrooksJournal of Biomolecular NMR|June 24, 2004
Model-free analysis of protein dynamics: assessment of accuracy and model selection protocols based on molecular dynamics simulationJianhan Chen, Charles L Brooks, Peter E WrightProteins|August 25, 2004
An electrostatic basis for the stability of thermophilic proteinsBrian N Dominy, Hervé Minoux, Charles L BrooksPageof 44