Enhanced Conformational Sampling in Molecular Dynamics Simulations of Solvated Peptides: Fragment-Based Local Elevation Umbrella Sampling-Reference-Cited by-同舟云学术

Enhanced Conformational Sampling in Molecular Dynamics Simulations of Solvated Peptides: Fragment-Based Local Elevation Umbrella Sampling

Published:2010-08-18 Issue:9 Volume:6 Page:2598-2621
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Hansen Halvor S.¹,Daura Xavier¹,Hünenberger Philippe H.¹

Affiliation:

1. Laboratorium für Physikalische Chemie, ETH Zürich, CH-8093 Zürich, Switzerland, Institute of Biotechnology and Biomedicine, Universitat Autònoma de Barcelona, E-08193 Bellaterra (Barcelona), Spain, and Catalan Institution for Research and Advanced Studies (ICREA), E-08010 Barcelona, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct1003059

Reference93 articles.

1. Computer Simulation of Molecular Dynamics: Methodology, Applications, and Perspectives in Chemistry

2. Biomolecular Modeling: Goals, Problems, Perspectives

3. Simulating the Physical World

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