Recent applications of boxed molecular dynamics: A simple multiscale technique for atomistic simulations

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volumn 372, Issue 2021, 2014, Pages

  Booth, Jonathan ^a   Vazquez, Saulo ^b   Martinez Nunez, Emilio ^b   Marks, Alison ^c   Rodgers, Jeff ^d   Glowacki, David R ^d,e   Shalashilin, Dmitrii V ^a  

^a UNIVERSITY OF LEEDS   (United Kingdom)

^b Universidad de Santiago de Compostela ^*  (Spain)

^c UNIVERSITY OF BRADFORD   (United Kingdom)

^d UNIVERSITY OF BRISTOL   (United Kingdom)

^e STANFORD UNIVERSITY   (United States)

Author keywords

Chemical dynamics; Dynamics of proteins; Kinetics; Molecular dynamics; Quantum mechanics

Indexed keywords

ATOMIC FORCE MICROSCOPY; CYCLIZATION; ENZYME KINETICS; PROTEINS; QUANTUM THEORY; REACTION KINETICS; SELF ASSEMBLED MONOLAYERS; THERMODYNAMICS;

ATOMISTIC SIMULATIONS; CHEMICAL DYNAMICS; ETCHING MECHANISM; LONG-TIME DYNAMICS; MOLECULAR SYSTEMS; MULTISCALE TECHNIQUE; POTENTIAL OF MEAN FORCE; THERMODYNAMICS AND KINETICS;

MOLECULAR DYNAMICS;

BIOPOLYMER;

ALGORITHM; ARTICLE; CHEMICAL DYNAMICS; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DYNAMICS OF PROTEINS; KINETICS; MOLECULAR DYNAMICS; QUANTUM MECHANICS; THERMODYNAMICS;

CHEMICAL DYNAMICS; DYNAMICS OF PROTEINS; KINETICS; MOLECULAR DYNAMICS; QUANTUM MECHANICS;

ALGORITHMS; BIOPOLYMERS; COMPUTER SIMULATION; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; THERMODYNAMICS;

EID: 84903977723     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.2013.0384     Document Type: Review

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