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Journal of Chemical Theory and Computation|August 27, 2011
Beyond microscopic reversibility: Are observable non-equilibrium processes precisely reversible?Divesh Bhatt, Daniel M ZuckermanJournal of Computational Chemistry|November 29, 2011
Accelerating molecular Monte Carlo simulations using distance and orientation-dependent energy tables: tuning from atomistic accuracy to smoothed "coarse-grained" modelsSteven Lettieri, Daniel M ZuckermanAnnual Reports in Computational Chemistry|May 11, 2010
Quantifying uncertainty and sampling quality in biomolecular simulationsAlan Grossfield, Daniel M ZuckermanThe Journal of Chemical Physics|January 3, 2016
Tabulation as a high-resolution alternative to coarse-graining protein interactions: Initial application to virus capsid subunitsJustin Spiriti, Daniel M ZuckermanThe Journal of Physical Chemistry. B|February 19, 2024
From Average Transient Transporter Currents to Microscopic Mechanism─A Bayesian AnalysisAugust George, Daniel M ZuckermanThe Journal of Physical Chemistry. A|February 12, 2021
A Minimal, Adaptive Binning Scheme for Weighted Ensemble SimulationsPaul A Torrillo, Anthony T Bogetti, Lillian T ChongThe Journal of Physical Chemistry. A|March 30, 2022
Development and Validation of Fluorinated, Aromatic Amino Acid Parameters for Use with the AMBER ff15ipq Protein Force FieldDarian T Yang, Angela M Gronenborn, Lillian T ChongJournal of the American Chemical Society|April 30, 2024
Revisiting Textbook Azide-Clock Reactions: A "Propeller-Crawling" Mechanism Explains Differences in RatesAnthony T Bogetti, Matthew C Zwier, Lillian T ChongThe Journal of Chemical Physics|March 5, 2009
Resampling improves the efficiency of a "fast-switch" equilibrium sampling protocolEdward Lyman, Daniel M ZuckermanThe Journal of Physical Chemistry. B|October 16, 2007
On the structural convergence of biomolecular simulations by determination of the effective sample sizeEdward Lyman, Daniel M ZuckermanPageof 15