Free energy calculation from steered molecular dynamics simulations using Jarzynski's equality

Journal of Chemical Physics

Volumn 119, Issue 6, 2003, Pages 3559-3566

  Park, Sanghyun ^a,b   Khalili Araghi, Fatemeh ^a,b   Tajkhorshid, Emad ^a   Schulten, Klaus ^a,b  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

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

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; CONFORMATIONS; DNA; EXPANSION; FREE ENERGY; NUMERICAL ANALYSIS; PHASE TRANSITIONS; THERMODYNAMIC PROPERTIES; VACUUM APPLICATIONS;

BIOMOLECULES; DECAALANINE; JARYNSKIS EQUALITY; STEERED MOLECULAR DYNAMICS;

MOLECULAR DYNAMICS;

EID: 0042885340     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1590311     Document Type: Article

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