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Title: Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction

Authors:
 [1];  [2];  [2];  [1]
  1. Department of Chemistry, James Franck Institute, Institute for Biophysical Dynamics, and Computation Institute, The University of Chicago, Chicago, Illinois 60637, United States, Center for Nonlinear Studies, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States
  2. Department of Chemistry, James Franck Institute, Institute for Biophysical Dynamics, and Computation Institute, The University of Chicago, Chicago, Illinois 60637, United States
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
National Science Foundation (NSF); National Institutes of Health (NIH); USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1226572
Alternate Identifier(s):
OSTI ID: 1282054; OSTI ID: 1418757
Report Number(s):
LA-UR-15-27322
Journal ID: ISSN 1549-9618
Grant/Contract Number:  
AC52-06NA25396; CHE-1136709; CHE-1465248; R01-GM053148; ACI-1053575
Resource Type:
Published Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Name: Journal of Chemical Theory and Computation Journal Volume: 11 Journal Issue: 12; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 59 BASIC BIOLOGICAL SCIENCES; Biological Science

Citation Formats

Dama, James F., Hocky, Glen M., Sun, Rui, and Voth, Gregory A. Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction. United States: N. p., 2015. Web. doi:10.1021/acs.jctc.5b00907.
Dama, James F., Hocky, Glen M., Sun, Rui, & Voth, Gregory A. Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction. United States. doi:10.1021/acs.jctc.5b00907.
Dama, James F., Hocky, Glen M., Sun, Rui, and Voth, Gregory A. Fri . "Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction". United States. doi:10.1021/acs.jctc.5b00907.
@article{osti_1226572,
title = {Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction},
author = {Dama, James F. and Hocky, Glen M. and Sun, Rui and Voth, Gregory A.},
abstractNote = {},
doi = {10.1021/acs.jctc.5b00907},
journal = {Journal of Chemical Theory and Computation},
number = 12,
volume = 11,
place = {United States},
year = {2015},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1021/acs.jctc.5b00907

Citation Metrics:
Cited by: 13 works
Citation information provided by
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