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The Journal of Chemical Physics
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July 23, 2004
Free energy simulations: use of reverse cumulative averaging to determine the equilibrated region and the time required for convergence
Wei Yang, Ryan Bitetti-Putzer, Martin Karplus
The Journal of Chemical Physics
|
July 23, 2004
Chaperoned alchemical free energy simulations: a general method for QM, MM, and QM/MM potentials
Wei Yang, Ryan Bitetti-Putzer, Martin Karplus
The Journal of Chemical Physics
|
May 13, 2006
Conformational sampling via a self-regulating effective energy surface
Ryan Bitetti-Putzer, Aaron R Dinner, Wei Yang, et al.
The Journal of Chemical Physics
|
April 21, 2007
Synergistic approach to improve "alchemical" free energy calculation in rugged energy surface
Donghong Min, Hongzhi Li, Guohui Li, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
July 23, 2004
Free energy simulations: use of reverse cumulative averaging to determine the equilibrated region and the time required for convergence
Wei Yang, Ryan Bitetti-Putzer, Martin Karplus
The Journal of Chemical Physics
|
July 23, 2004
Chaperoned alchemical free energy simulations: a general method for QM, MM, and QM/MM potentials
Wei Yang, Ryan Bitetti-Putzer, Martin Karplus
The Journal of Chemical Physics
|
May 13, 2006
Conformational sampling via a self-regulating effective energy surface
Ryan Bitetti-Putzer, Aaron R Dinner, Wei Yang, et al.
The Journal of Chemical Physics
|
April 21, 2007
Synergistic approach to improve "alchemical" free energy calculation in rugged energy surface
Donghong Min, Hongzhi Li, Guohui Li, et al.
Page
of 1