Computational alanine scanning with linear scaling semiempirical quantum mechanical methods

Proteins: Structure, Function and Bioinformatics

Volumn 78, Issue 10, 2010, Pages 2329-2337

  Diller, David J ^a   Humblet, Christine ^a   Zhang, Xiaohua ^b   Westerhoff, Lance M ^b  

^a PFIZER INC   (United States)

^b QUANTUMBIO INC   (United States)

Author keywords

Computational alanine scanning; Linear scaling quantum mechanics; Protein protein interactions

Indexed keywords

ALANINE; MUTANT PROTEIN; PROTEIN; PROTEIN BINDING; WATER;

ARTICLE; CALCULATION; COMPUTATIONAL ALANINE SCANNING; CRYSTAL STRUCTURE; EMPIRICAL RESEARCH; LIGAND BINDING; LINEAR SCALING QUANTUM MECHANICS; LINEAR SYSTEM; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; QUANTUM MECHANICS; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; PROCEDURES; PROTEIN DATABASE; PROTEIN QUATERNARY STRUCTURE; QUANTUM THEORY; SURFACE PROPERTY;

ALANINE; COMPUTATIONAL BIOLOGY; DATABASES, PROTEIN; MODELS, MOLECULAR; MUTANT PROTEINS; PROTEIN BINDING; PROTEIN STRUCTURE, QUATERNARY; PROTEINS; QUANTUM THEORY; SURFACE PROPERTIES; WATER;

EID: 77955777165     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22745     Document Type: Article

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