Enhancing QM/MM indirect free energy simulations with intramolecular force matching

Phillip Hudson; Stefan Boresch; David Rogers; Henry Woodcock

Enhancing QM/MM indirect free energy simulations with intramolecular force matching

Phillip Hudson, Stefan Boresch, David Rogers, Henry Woodcock

Institut für Computergestützte Biologische Chemie

Veröffentlichungen: Beitrag in Fachzeitschrift › Meeting Abstract/Conference Paper › Peer Reviewed

Originalsprache	Englisch
Seitenumfang	1
Fachzeitschrift	American Chemical Society. Abstracts of Papers (at the National Meeting)
Jahrgang	254
Publikationsstatus	Veröffentlicht - 20 Aug. 2017
Veranstaltung	254th National Meeting and Exposition of the American-Chemical-Society (ACS) on Chemistry's Impact on the Global Economy - Washington, USA / Vereinigte Staaten Dauer: 20 Aug. 2017 → 24 Aug. 2017

ÖFOS 2012

104017 Physikalische Chemie
103006 Chemische Physik
102009 Computersimulation

Zitationsweisen

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title = "Enhancing QM/MM indirect free energy simulations with intramolecular force matching",

author = "Phillip Hudson and Stefan Boresch and David Rogers and Henry Woodcock",

note = " Accession Number: WOS:000429525603667 ; 254th National Meeting and Exposition of the American-Chemical-Society (ACS) on Chemistry's Impact on the Global Economy ; Conference date: 20-08-2017 Through 24-08-2017",

year = "2017",

month = aug,

day = "20",

language = "English",

volume = "254",

journal = "American Chemical Society. Abstracts of Papers (at the National Meeting)",

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TY - JOUR

T1 - Enhancing QM/MM indirect free energy simulations with intramolecular force matching

AU - Hudson, Phillip

AU - Boresch, Stefan

AU - Rogers, David

AU - Woodcock, Henry

N1 - Accession Number: WOS:000429525603667

PY - 2017/8/20

Y1 - 2017/8/20

M3 - Meeting abstract/Conference paper

SN - 0065-7727

VL - 254

JO - American Chemical Society. Abstracts of Papers (at the National Meeting)

JF - American Chemical Society. Abstracts of Papers (at the National Meeting)

T2 - 254th National Meeting and Exposition of the American-Chemical-Society (ACS) on Chemistry's Impact on the Global Economy

Y2 - 20 August 2017 through 24 August 2017

ER -