Prospects of applying enhanced semi-empirical QM methods for virtual drug design

Current Medicinal Chemistry

Volumn 23, Issue 20, 2016, Pages 2101-2111

  Yilmazer, Nusret Duygu ^a   Korth, Martin ^a  

^a UNIVERSITY OF ULM   (Germany)

Author keywords

Biomolecular interactions; Computational chemistry; Dispersion interactions; Enhanced semiempirical QM methods; Virtual drug design

Indexed keywords

ARTICLE; DENSITY FUNCTIONAL THEORY; DISPERSION; DRUG DESIGN; HYDROGEN BOND; QUANTUM CHEMISTRY; QUANTUM MECHANICS; SOLID STATE; MOLECULAR MODEL; QUANTUM THEORY; THERMODYNAMICS;

DRUG DESIGN; MODELS, MOLECULAR; QUANTUM THEORY; THERMODYNAMICS;

EID: 84983643559     PISSN: 09298673     EISSN: 1875533X     Source Type: Journal    
DOI: 10.2174/092986732366616031612507     Document Type: Article

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