Descriptions and Implementations of DL-F Notation: A Natural Chemical Expression System of Atom Types for Molecular Simulations

Journal of Chemical Information and Modeling

Volumn 56, Issue 8, 2016, Pages 1405-1409

  Yong, Chin W ^a,b  

^a DARESBURY LABORATORY   (United Kingdom)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SOFTWARE; ENGINES; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

CHEMICAL SENSE; CORE CONVERSION; EXPRESSION SYSTEM; FORCE FIELDS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; SOFTWARE PROGRAM; USER FRIENDLINESS;

ATOMS;

ATORVASTATIN;

CHEMISTRY; CONFORMATION; MOLECULAR DYNAMICS;

ATORVASTATIN CALCIUM; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION;

EID: 84983378121     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.6b00323     Document Type: Article

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