Affordable multiscale free energy simulations: A novel method that efficiently connects low level sampling to QM/MM via non-Boltzmann Bennett reweighting

Gerhard Konig; Phillip Hudson; Stefan Boresch; Henry Lee Woodcock

Affordable multiscale free energy simulations: A novel method that efficiently connects low level sampling to QM/MM via non-Boltzmann Bennett reweighting

Gerhard Konig, Phillip Hudson, Stefan Boresch, Henry Lee 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	248
Publikationsstatus	Veröffentlicht - 10 Aug. 2014
Veranstaltung	248th ACS National Meeting & Exposition - San Francisco, USA / Vereinigte Staaten Dauer: 10 Aug. 2014 → 14 Aug. 2014

ÖFOS 2012

104004 Chemische Biologie
104017 Physikalische Chemie

Zitationsweisen

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title = "Affordable multiscale free energy simulations: A novel method that efficiently connects low level sampling to QM/MM via non-Boltzmann Bennett reweighting",

author = "Gerhard Konig and Phillip Hudson and Stefan Boresch and Woodcock, {Henry Lee}",

note = " Accession Number: WOS:000349165104470 ; 248th ACS National Meeting & Exposition ; Conference date: 10-08-2014 Through 14-08-2014",

year = "2014",

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

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Affordable multiscale free energy simulations: A novel method that efficiently connects low level sampling to QM/MM via non-Boltzmann Bennett reweighting. / Konig, Gerhard; Hudson, Phillip; Boresch, Stefan et al.

in: American Chemical Society. Abstracts of Papers (at the National Meeting), Band 248, 10.08.2014.

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

TY - JOUR

T1 - Affordable multiscale free energy simulations: A novel method that efficiently connects low level sampling to QM/MM via non-Boltzmann Bennett reweighting

AU - Konig, Gerhard

AU - Hudson, Phillip

AU - Boresch, Stefan

AU - Woodcock, Henry Lee

N1 - Accession Number: WOS:000349165104470

PY - 2014/8/10

Y1 - 2014/8/10

M3 - Meeting abstract/Conference paper

VL - 248

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

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

SN - 0065-7727

T2 - 248th ACS National Meeting & Exposition

Y2 - 10 August 2014 through 14 August 2014

ER -