Machine learning of single molecule free energy surfaces and the impact of chemistry and environment upon structure and dynamics

Journal of Chemical Physics

Volumn 142, Issue 10, 2015, Pages

  Mansbach, Rachael A ^a   Ferguson, Andrew L ^a  

^a University of Illinois at Urbana Champaign   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTIFICIAL INTELLIGENCE; CHAIN LENGTH; CHAINS; LEARNING SYSTEMS; MOLECULAR STRUCTURE; MOLECULES; RATIONAL FUNCTIONS;

CHAIN CONFIGURATION; CONFORMATIONAL STATE; ENVIRONMENTAL CONDITIONS; FREE ENERGY LANDSCAPE; HELIX-COIL TRANSITIONS; MACHINE LEARNING TECHNIQUES; MOLECULAR SIMULATIONS; STRUCTURE AND DYNAMICS;

FREE ENERGY;

ALKANE; EICOSANE; POLYGLUTAMIC ACID; PROTEIN;

CHEMISTRY; COMPUTER SIMULATION; MACHINE LEARNING; PROTEIN SECONDARY STRUCTURE; THERMODYNAMICS;

ALKANES; COMPUTER SIMULATION; MACHINE LEARNING; POLYGLUTAMIC ACID; PROTEIN STRUCTURE, SECONDARY; PROTEINS; THERMODYNAMICS;

EID: 84924709776     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4914144     Document Type: Article

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