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Title: Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes

Authors:
; ; ; ; ;
Publication Date:
Grant/Contract Number:
SC0011297TDD
Type:
Publisher's Accepted Manuscript
Journal Name:
Biochimica et Biophysica Acta - General Subjects
Additional Journal Information:
Journal Name: Biochimica et Biophysica Acta - General Subjects Journal Volume: 1850 Journal Issue: 5; Journal ID: ISSN 0304-4165
Publisher:
Elsevier
Sponsoring Org:
USDOE
Country of Publication:
Netherlands
Language:
English
OSTI Identifier:
1456306

Hudson, Phillip S., White, Justin K., Kearns, Fiona L., Hodoscek, Milan, Boresch, Stefan, and Lee Woodcock, H.. Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes. Netherlands: N. p., Web. doi:10.1016/j.bbagen.2014.09.016.
Hudson, Phillip S., White, Justin K., Kearns, Fiona L., Hodoscek, Milan, Boresch, Stefan, & Lee Woodcock, H.. Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes. Netherlands. doi:10.1016/j.bbagen.2014.09.016.
Hudson, Phillip S., White, Justin K., Kearns, Fiona L., Hodoscek, Milan, Boresch, Stefan, and Lee Woodcock, H.. 2015. "Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes". Netherlands. doi:10.1016/j.bbagen.2014.09.016.
@article{osti_1456306,
title = {Efficiently computing pathway free energies: New approaches based on chain-of-replica and Non-Boltzmann Bennett reweighting schemes},
author = {Hudson, Phillip S. and White, Justin K. and Kearns, Fiona L. and Hodoscek, Milan and Boresch, Stefan and Lee Woodcock, H.},
abstractNote = {},
doi = {10.1016/j.bbagen.2014.09.016},
journal = {Biochimica et Biophysica Acta - General Subjects},
number = 5,
volume = 1850,
place = {Netherlands},
year = {2015},
month = {5}
}