Parallelized Natural Extension Reference Frame: Parallelized Conversion from Internal to Cartesian Coordinates

Journal of Computational Chemistry

Volumn 40, Issue 7, 2019, Pages 885-892

  AlQuraishi, Mohammed ^a  

^a HARVARD MEDICAL SCHOOL   (United States)

Author keywords

internal coordinates; machine learning; molecular dynamics; molecular mechanics; protein structure

Indexed keywords

ARTIFICIAL INTELLIGENCE; LEARNING SYSTEMS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PROGRAM PROCESSORS;

CARTESIAN COORDINATE; COMPUTATIONAL COSTS; COORDINATE CONVERSION; EMPIRICAL ANALYSIS; EQUIVALENT ALGORITHM; INTERNAL COORDINATES; PARTIAL DERIVATIVES; PROTEIN STRUCTURES;

POLYMERS;

POLYMER;

ALGORITHM; CHEMISTRY; MACHINE LEARNING; MOLECULAR MODEL;

ALGORITHMS; MACHINE LEARNING; MODELS, MOLECULAR; POLYMERS;

EID: 85059623845     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.25772     Document Type: Article

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