Long-time-step molecular dynamics through hydrogen mass repartitioning

Journal of Chemical Theory and Computation

Volumn 11, Issue 4, 2015, Pages 1864-1874

  Hopkins, Chad W ^a   Le Grand, Scott ^b   Walker, Ross C ^c   Roitberg, Adrian E ^a  

^a Department of Physics Quantum Theory Project University of Florida ^*  (United States)

^b AMAZON   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HEN EGG LYSOZYME; HYDROGEN; LYSOZYME; SPIN LABEL;

ANIMAL; CHEMISTRY; CHICKEN; KINETICS; METABOLISM; MOLECULAR DYNAMICS; PRINCIPAL COMPONENT ANALYSIS; SPIN LABELS; THERMODYNAMICS;

ANIMALS; CHICKENS; HYDROGEN; KINETICS; MOLECULAR DYNAMICS SIMULATION; MURAMIDASE; PRINCIPAL COMPONENT ANALYSIS; SPIN LABELS; THERMODYNAMICS;

EID: 84927779536     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct5010406     Document Type: Article

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