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Results of search for 'au:"Bitetti-Putzer, Ryan"'
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Authors
Bitetti-Putzer, Ryan
Dinner, Aaron R
Karplus, Martin
Li, Guohui
Li, Hongzhi
Min, Donghong
Yang, Wei
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Topics
Alchemy
Algorithms
Amino Acids
Computer Simulation
Energy Transfer
Ethane
Kinetics
Methane
Models, Chemical
Models, Molecular
Models, Statistical
Phospholipases A
Protein Conformation
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chemistry
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1.
Free energy simulations: use of reverse cumulative averaging to determine the equilibrated region and the time required for convergence.
[electronic resource]
by
Yang, Wei
Bitetti-Putzer, Ryan
Karplus, Martin
Producer:
20060502
In:
The Journal of chemical physics
vol. 120
Online resources:
Available from publisher's website
Availability:
No items available.
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2.
Chaperoned alchemical free energy simulations: a general method for QM, MM, and QM/MM potentials.
[electronic resource]
by
Yang, Wei
Bitetti-Putzer, Ryan
Karplus, Martin
Producer:
20071102
In:
The Journal of chemical physics
vol. 120
Online resources:
Available from publisher's website
Availability:
No items available.
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3.
Conformational sampling via a self-regulating effective energy surface.
[electronic resource]
by
Bitetti-Putzer, Ryan
Dinner, Aaron R
Yang, Wei
Karplus, Martin
Producer:
20070604
In:
The Journal of chemical physics
vol. 124
Online resources:
Available from publisher's website
Availability:
No items available.
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4.
Synergistic approach to improve "alchemical" free energy calculation in rugged energy surface.
[electronic resource]
by
Min, Donghong
Li, Hongzhi
Li, Guohui
Bitetti-Putzer, Ryan
Yang, Wei
Producer:
20070619
In:
The Journal of chemical physics
vol. 126
Online resources:
Available from publisher's website
Availability:
No items available.
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