Molecular simulation study of the potentials of mean force for the interactions between models of like-charged and between charged and nonpolar amino acid side chains in water

Journal of Physical Chemistry B

Volumn 107, Issue 48, 2003, Pages 13496-13504

  Maksimiak, Katarzyna ^a   Rodziewicz Motowidlo, Sylwia ^a   Czaplewski, Cezary ^a,b   Liwo, Adam ^a,b,c   Scheraga, Harold A ^b  

^a UNIVERSITY OF GDA SK   (Poland)

^b Department of Obstetrics Gynecology   (United States)

^c GDANSK UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTROSTATICS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; POSITIVE IONS; POTENTIAL ENERGY; SOLUTIONS; WATER;

ELECTROSTATIC INTERACTIONS; EWALD SUMMATION; NONPOLAR AMINO ACID SIDE CHAINS; POTENTIALS OF MEAN FORCE; WEIGHTED HISTOGRAM ANALYSIS METHOD;

AMINO ACIDS;

EID: 0347577955     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp030691w     Document Type: Article

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