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Title: A systematic study of minima in alanine dipeptide

Authors:
ORCiD logo [1];  [2];  [3]; ORCiD logo [4]
  1. Department of ChemistryLomonosov Moscow State University Leninskie Gory 1/3, Moscow 119991 Russia
  2. Argonne National LaboratoryComputational Science Division Argonne Illinois 60439
  3. Department of BiochemistryUniversity of Washington, Institute for Protein Design Seattle Washington 98195
  4. CD‐FMatNational Institute of Advanced Industrial Science and Technology Central 2, Umezono 1‐1‐1, Tsukuba 305‐8568 Japan
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1485691
Grant/Contract Number:  
DE‐AC02‐06CH11357
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Computational Chemistry
Additional Journal Information:
Journal Name: Journal of Computational Chemistry Journal Volume: 40 Journal Issue: 2; Journal ID: ISSN 0192-8651
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United States
Language:
English

Citation Formats

Mironov, Vladimir, Alexeev, Yuri, Mulligan, Vikram Khipple, and Fedorov, Dmitri G. A systematic study of minima in alanine dipeptide. United States: N. p., 2018. Web. doi:10.1002/jcc.25589.
Mironov, Vladimir, Alexeev, Yuri, Mulligan, Vikram Khipple, & Fedorov, Dmitri G. A systematic study of minima in alanine dipeptide. United States. doi:10.1002/jcc.25589.
Mironov, Vladimir, Alexeev, Yuri, Mulligan, Vikram Khipple, and Fedorov, Dmitri G. Tue . "A systematic study of minima in alanine dipeptide". United States. doi:10.1002/jcc.25589.
@article{osti_1485691,
title = {A systematic study of minima in alanine dipeptide},
author = {Mironov, Vladimir and Alexeev, Yuri and Mulligan, Vikram Khipple and Fedorov, Dmitri G.},
abstractNote = {},
doi = {10.1002/jcc.25589},
journal = {Journal of Computational Chemistry},
number = 2,
volume = 40,
place = {United States},
year = {Tue Oct 23 00:00:00 EDT 2018},
month = {Tue Oct 23 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on October 23, 2019
Publisher's Accepted Manuscript

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Works referenced in this record:

The structure of proteins: Two hydrogen-bonded helical configurations of the polypeptide chain
journal, April 1951

  • Pauling, L.; Corey, R. B.; Branson, H. R.
  • Proceedings of the National Academy of Sciences, Vol. 37, Issue 4, p. 205-211
  • DOI: 10.1073/pnas.37.4.205

General atomic and molecular electronic structure system
journal, November 1993

  • Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.
  • Journal of Computational Chemistry, Vol. 14, Issue 11, p. 1347-1363
  • DOI: 10.1002/jcc.540141112