Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Paul A Torrillo"'
Autor:
Paul A Torrillo, Tami D Lieberman
Publikováno v:
eLife, Vol 13 (2024)
When examining bacterial genomes for evidence of past selection, the results depend heavily on the mutational distance between chosen genomes. Even within a bacterial species, genomes separated by larger mutational distances exhibit stronger evidence
Externí odkaz:
https://doaj.org/article/97cdc8f57d1c48d7ba78c516adac0555
Autor:
John D. Russo, She Zhang, Jeremy M. G. Leung, Anthony T. Bogetti, Jeff P. Thompson, Alex J. DeGrave, Paul A. Torrillo, A. J. Pratt, Kim F. Wong, Junchao Xia, Jeremy Copperman, Joshua L. Adelman, Matthew C. Zwier, David N. LeBard, Daniel M. Zuckerman, Lillian T. Chong
Publikováno v:
J Chem Theory Comput
The weighted ensemble (WE) family of methods is one of several statistical-mechanics based path sampling strategies that can provide estimates of key observables (rate constants, pathways) using a fraction of the time required by direct simulation me
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e390c6ced9ac98b6fa1d7028ed0b0a87
https://doi.org/10.1021/acs.jctc.1c01154
https://doi.org/10.1021/acs.jctc.1c01154
Publikováno v:
J Phys Chem A
A promising approach for simulating rare events with rigorous kinetics is the weighted ensemble path sampling strategy. One challenge of this strategy is the division of configurational space into bins for sampling. Here we present the minimal adapti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f01bca87d4571a4209cd2c53855e3c53
https://europepmc.org/articles/PMC8091492/
https://europepmc.org/articles/PMC8091492/
Autor:
Daniel M. Zuckerman, Paige O. Harrison, Anthony T. Bogetti, Joshua L. Adelman, Max F. Dudek, Upendra Adhikari, Paul A. Torrillo, Lillian T. Chong, Adam J. Pratt, Barmak Mostofian, Matthew C. Zwier, Ali S. Saglam, Alex Dickson, Alex J. DeGrave
Publikováno v:
Living J Comput Mol Sci
The weighted ensemble (WE) strategy has been demonstrated to be highly efficient in generating pathways and rate constants for rare events such as protein folding and protein binding using atomistic molecular dynamics simulations. Here we present fiv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4fe460d052ae315419a81fdaf27bd6b1
https://doi.org/10.33011/livecoms.1.2.10607
https://doi.org/10.33011/livecoms.1.2.10607