Molecular dynamics simulations of 441 two-residue peptides in aqueous solution: Conformational preferences and neighboring residue effects with the amber ff99sb-ildn-NMR force field

Journal of Chemical Theory and Computation

Volumn 11, Issue 3, 2015, Pages 1315-1329

  Li, Shuxiang ^a   Andrews, Casey T ^a   Frembgen Kesner, Tamara ^a   Miller, Mark S ^a   Siemonsma, Stephen L ^a   Collingsworth, Timothy D ^a   Rockafellow, Isaac T ^a   Ngo, Nguyet Anh ^a   Campbell, Brady A ^a   Brown, Reid F ^a   Guo, Chengxuan ^a   Schrodt, Michael ^a   Liu, Yu Tsan ^a   Elcock, Adrian H ^a  

^a UNIVERSITY OF IOWA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACID; PEPTIDE; SOLUTION AND SOLUBILITY; WATER;

CHEMISTRY; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PROTEIN CONFORMATION; SOLUTION AND SOLUBILITY;

AMINO ACIDS; MOLECULAR DYNAMICS SIMULATION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDES; PROTEIN CONFORMATION; SOLUTIONS; WATER;

EID: 84924375346     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct5010966     Document Type: Article

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