Combined covalent-electrostatic model of hydrogen bonding improves structure prediction with Rosetta

Journal of Chemical Theory and Computation

Volumn 11, Issue 2, 2015, Pages 609-622

  O'Meara, Matthew J ^a   Leaver Fay, Andrew ^b   Tyka, Michael D ^c   Stein, Amelie ^d   Houlihan, Kevin ^b   Dimaio, Frank ^e   Bradley, Philip ^f   Kortemme, Tanja ^d   Baker, David ^e   Snoeyink, Jack ^a   Kuhlman, Brian ^b  

^a UNIVERSITY OF NORTH CAROLINA   (United States)

^b UNIVERSITY OF NORTH CAROLINA SCHOOL OF MEDICINE   (United States)

^c GOOGLE INC   (United States)

^d UNIVERSITY OF CALIFORNIA   (United States)

^e UNIVERSITY OF WASHINGTON SCHOOL OF MEDICINE   (United States)

^f Fred Hutchinson Cancer Research Center   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL MODEL; CHEMICAL STRUCTURE; HYDROGEN BOND; MOLECULAR MODEL; SOFTWARE; STATIC ELECTRICITY;

HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SOFTWARE; STATIC ELECTRICITY;

EID: 84922682223     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct500864r     Document Type: Article

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