Comparison of two approaches to potential of mean force calculations of hydrophobic association: Particle insertion and weighted histogram analysis methods

Molecular Physics

Volumn 103, Issue 21-23 SPEC. ISS., 2005, Pages 3153-3167

  Czaplewski, Cezary ^a,b   Kalinowski, Sebastian ^b   Liwo, Adam ^a,b   Scheraga, Harold A ^a  

^a Department of Obstetrics Gynecology   (United States)

^b UNIVERSITY OF GDA SK   (Poland)

Author keywords

Hydrophobic interactions; Potential of mean force; Test particle insertion; Umbrella sampling; Weighted histogram analysis method

Indexed keywords

METHANE; MOLECULAR PHYSICS; SAMPLING; WATER;

HYDROPHOBIC INTERACTIONS; POTENTIAL OF MEAN FORCE; TEST PARTICLE INSERTION; UMBRELLA SAMPLING;

HYDROPHOBICITY;

EID: 31744451391     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970500233797     Document Type: Article

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