Extended Adaptive Biasing Force Algorithm. An On-the-Fly Implementation for Accurate Free-Energy Calculations

Journal of Chemical Theory and Computation

Volumn 12, Issue 8, 2016, Pages 3506-3513

  Fu, Haohao ^a   Shao, Xueguang ^a,b   Chipot, Christophe ^c,d   Cai, Wensheng ^a,b  

^a NANKAI UNIVERSITY   (China)

^b Tianjin Engineering Center of Micro Nano Biomaterials and Detection Treatment Technology   (China)

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

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

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84981295715     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.6b00447     Document Type: Article

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