Knowledge-based Optimization of Protein-Ligand-Complex Geometries

Knowledge-based Optimization of Protein-Ligand-Complex Geometries

The aim of this work was to develop a tool to optimize insilico generated protein-ligand complexes according to DrugScore (DS) potentials. DS is typically used to rescore ligand geometries that were generated by docking. Thus, these poses are optimized according to the scoring function used by the s...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Päätekijä: Spitzmüller, Andreas
Muut tekijät: Klebe, Gerhard (Prof. Dr.) (BetreuerIn (Doktorarbeit))
Aineistotyyppi: Dissertation
Kieli:englanti
Julkaistu: Philipps-Universität Marburg 2011
Aiheet:
Scoring
Naturwissenschaften
Docking
Optimization
Protein-Ligand Docking
Optimierung
Arzneimitteldesign
Wissensbasiertes System
Knowledge-based System
Protein-Ligand Komplex
Drug Design
Natural sciences & mathematics
Linkit:PDF-kokoteksti
Tagit: Lisää tagi
Ei tageja, Lisää ensimmäinen tagi!

Internet

PDF-kokoteksti

Saatavuus:
Hyllypaikka: urn:nbn:de:hebis:04-z2011-04581
Julkaisupäivä: 2011-08-08
Datum der Annahme: 2011-07-13
Downloads: 115 (2024), 95 (2023), 144 (2022), 193 (2021), 203 (2020), 225 (2019), 166 (2018)
Lizenz: https://rightsstatements.org/vocab/InC-NC/1.0/
Linkki aineistoon: https://archiv.ub.uni-marburg.de/diss/z2011/0458
https://doi.org/10.17192/z2011.0458

Samankaltaisia teoksia