Accurate ab Initio Quantum Chemical Determination of the Relative Energetics of Peptide Conformations and Assessment of Empirical Force Fields-Reference-Cited by-同舟云学术

Accurate ab Initio Quantum Chemical Determination of the Relative Energetics of Peptide Conformations and Assessment of Empirical Force Fields

Published:1997-06-01 Issue:25 Volume:119 Page:5908-5920
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Beachy Michael D.¹,Chasman David¹,Murphy Robert B.¹,Halgren Thomas A.¹,Friesner Richard A.¹

Affiliation:

1. Contribution from the Department of Chemistry and Center for Biomolecular Simulation, Columbia University, New York, New York 10027, Schrödinger Inc., 121 SW Morrison, Suite 1212, Portland, Oregon 97204, and Department of Molecular Design and Diversity, Merck Research Laboratories, Rahway, New Jersey 07065

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja962310g

Reference61 articles.

1. An all atom force field for simulations of proteins and nucleic acids

2. AMBER torsional parameters for the peptide backbone

3. Theoretical investigation of the thermal ring opening of bicyclobutane to butadiene. Evidence for a nonsynchronous process

4. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

5. An all-atom empirical energy function for the simulation of nucleic acids

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