Recent development and application of constant pH molecular dynamics

Molecular Simulation

Volumn 40, Issue 10-11, 2014, Pages 830-838

  Chen, Wei ^a   Morrow, Brian H ^a   Shi, Chuanyin ^b   Shen, Jana K ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

^b SECOND MILITARY MEDICAL UNIVERSITY   (China)

Author keywords

algorithms; electrostatics; molecular dynamics; pH; pKa calculation

Indexed keywords

ALGORITHMS; ELECTROSTATICS; NUCLEIC ACIDS; PH; PROTEINS; SELF ASSEMBLY; SURFACE ACTIVE AGENTS;

CHEMICAL AND BIOLOGICALS; CONSTANT PH MOLECULAR DYNAMICS; DEVELOPMENT AND APPLICATIONS; DYNAMICAL PHENOMENA; ENVIRONMENTAL FACTORS; PH-DEPENDENT; SOLUTION PH; SURFACTANT ASSEMBLIES;

MOLECULAR DYNAMICS;

EID: 84905865412     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2014.907492     Document Type: Article

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