Use of Enveloping Distribution Sampling to Evaluate Important Characteristics of Biomolecular Force Fields
Author:
Affiliation:
1. Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, ETH, Vladimir-Prelog-Weg 2/HCI, 8093 Zürich, Switzerland
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp411005x
Reference49 articles.
1. Hydrogen bonding in globular proteins
2. Helix geometry in proteins
3. π-Turns in proteins and peptides: Classification, conformation, occurrence, hydration and sequence
4. The π-helix translates structure into function
5. Discriminating the Helical Forms of Peptides by NMR and Molecular Dynamics Simulation
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1. Accelerated Enveloping Distribution Sampling: Enabling Sampling of Multiple End States while Preserving Local Energy Minima;The Journal of Physical Chemistry B;2018-04-18
2. A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set;Journal of Chemical Theory and Computation;2016-07-08
3. On the ambiguity of conformational states: A B&S-LEUS simulation study of the helical conformations of decaalanine in water;J CHEM PHYS;2015
4. Computational Treatment of Metalloproteins;The Journal of Physical Chemistry B;2015-04-14
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