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Proceedings of the National Academy of Sciences of the United States of America|September 10, 2015
Accelerating molecular simulations of proteins using Bayesian inference on weak informationAlberto Perez, Justin L MacCallum, Ken A Dill
Proceedings of the National Academy of Sciences of the United States of America|June 4, 2015
Determining protein structures by combining semireliable data with atomistic physical models by Bayesian inferenceJustin L MacCallum, Alberto Perez, Ken A Dill
Structure (London, England : 1993)|December 10, 2013
Computing the relative stabilities and the per-residue components in protein conformational changesArijit Roy, Alberto Perez, Ken A Dill, et al.
The Journal of Chemical Physics|January 3, 2016
Constraint methods that accelerate free-energy simulations of biomoleculesAlberto Perez, Justin L MacCallum, Evangelos A Coutsias, et al.
Journal of Chemical Information and Modeling|February 2, 2025
MELD in Action: Harnessing Data to Accelerate Molecular DynamicsJokent Gaza, Emiliano Brini, Justin L MacCallum, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Grid-based backbone correction to the ff12SB protein force field for implicit-solvent simulationsAlberto Perez, Justin L MacCallum, Emiliano Brini, et al.
Journal of Chemical Theory and Computation|December 23, 2014
FlexE: Using elastic network models to compare models of protein structureAlberto Perez, Zheng Yang, Ivet Bahar, et al.
Science Advances|November 17, 2016
Blind protein structure prediction using accelerated free-energy simulationsAlberto Perez, Joseph A Morrone, Emiliano Brini, et al.
Science (New York, N.Y.)|November 28, 2012
The protein-folding problem, 50 years onKen A Dill, Justin L MacCallum
Proteins|July 1, 2014
Extracting representative structures from protein conformational ensemblesAlberto Perez, Arijit Roy, Koushik Kasavajhala, et al.
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