Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations

Marcus Wieder; Ugo Perricone; Thomas Seidel; Stefan Boresch; Thierry Langer

doi:10.1007/s00706-016-1674-1

Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations

Marcus Wieder, Ugo Perricone, Thomas Seidel (Korresp. Autor*in), Stefan Boresch, Thierry Langer

Institut für Computergestützte Biologische Chemie

Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

Originalsprache	Englisch
Seiten (von - bis)	553-563
Seitenumfang	11
Fachzeitschrift	Monatshefte für Chemie
Jahrgang	147
Ausgabenummer	3
DOIs	https://doi.org/10.1007/s00706-016-1674-1
Publikationsstatus	Veröffentlicht - März 2016

ÖFOS 2012

106005 Bioinformatik
301207 Pharmazeutische Chemie

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10.1007/s00706-016-1674-1

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@article{eabd78003e284fb58a45a786da98b048,

title = "Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations",

keywords = "Pharmacophore modelling, Molecular dynamics, Molecular modelling, Computational chemistry, GENERAL FORCE-FIELD, PROTEIN-STRUCTURE, DRUG DISCOVERY, DOCKING, CHARMM, LIGANDS, BINDING, DESIGN, HSP90, RECOMMENDATIONS",

author = "Marcus Wieder and Ugo Perricone and Thomas Seidel and Stefan Boresch and Thierry Langer",

note = "Publisher Copyright: {\textcopyright} 2016 The Author(s).",

year = "2016",

month = mar,

doi = "10.1007/s00706-016-1674-1",

language = "English",

volume = "147",

pages = "553--563",

journal = "Monatshefte f{\"u}r Chemie",

issn = "0026-9247",

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TY - JOUR

T1 - Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations

AU - Wieder, Marcus

AU - Perricone, Ugo

AU - Seidel, Thomas

AU - Boresch, Stefan

AU - Langer, Thierry

PY - 2016/3

Y1 - 2016/3

KW - Pharmacophore modelling

KW - Molecular dynamics

KW - Molecular modelling

KW - Computational chemistry

KW - GENERAL FORCE-FIELD

KW - PROTEIN-STRUCTURE

KW - DRUG DISCOVERY

KW - DOCKING

KW - CHARMM

KW - LIGANDS

KW - BINDING

KW - DESIGN

KW - HSP90

KW - RECOMMENDATIONS

UR - https://www.scopus.com/pages/publications/84960452242

U2 - 10.1007/s00706-016-1674-1

DO - 10.1007/s00706-016-1674-1

M3 - Article

SN - 0026-9247

VL - 147

SP - 553

EP - 563

JO - Monatshefte für Chemie

JF - Monatshefte für Chemie

IS - 3

ER -

Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations

ÖFOS 2012

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