How Accurately Do Current Force Fields Predict Experimental Peptide Conformations? An Adiabatic Free Energy Dynamics Study-Reference-Cited by-同舟云学术

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How Accurately Do Current Force Fields Predict Experimental Peptide Conformations? An Adiabatic Free Energy Dynamics Study

Published:2014-04-04 Issue:24 Volume:118 Page:6539-6552
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Tzanov Alexandar T.¹,Cuendet Michel A.¹²,Tuckerman Mark E.¹³

Affiliation:

1. Department of Chemistry, New York University, New York, New York 10003, United States

2. Swiss Institute of Bioinformatics, UNIL Sorge, 1015 Lausanne, Switzerland

3. Courant Institute of Mathematical Sciences, New York University, New York, New York 10003, United States

Funder

National Science Foundation

Swiss National Science Foundation

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/jp500193w

Reference106 articles.

1. Structure of the Alanine Dipeptide in Condensed Phases Determined by 13C NMR

2. Infrared-induced conformational isomerization and vibrational relaxation dynamics in melatonin and 5-methoxy-N-acetyl tryptophan methyl amide

3. The dynamics of conformational isomerization in flexible biomolecules. I. Hole-filling spectroscopy of N-acetyl tryptophan methyl amide and N-acetyl tryptophan amide

4. The dynamics of conformational isomerization in flexible biomolecules. II. Simulating isomerizations in a supersonic free jet with master equation dynamics

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