A new program for optimizing periodic boundary models of solvated biomolecules (PBCAID)

Journal of Computational Chemistry

Volumn 22, Issue 15, 2001, Pages 1843-1850

  Qian, Xiaoliang ^a   Strahs, Daniel ^a   Schlick, Tamar ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

Molecular dynamics; Particle mesh Ewald; Periodic boundary conditions; Solvation; Space filling polyhedra

Indexed keywords

EID: 0035976324     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1135     Document Type: Article

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