Development and Improvement of Tools and Algorithms for the Problem of Atom Type Perception and for the Assessment of Protein-Ligand-Complex Geometries

In context of the present work, a scoring function for protein-ligand complexes has been developed, not aimed at affinity prediction, but rather a good recognition rate of near native geometries. The developed program DSX makes use of the same formalism as the knowledge-based scoring function DrugSc...

Cijeli opis

Spremljeno u:
Bibliografski detalji
Glavni autor: Neudert, Gerd
Daljnji autori: Klebe, Gerhard (Prof. Dr.) (Savjetnik disertacije)
Format: Dissertation
Jezik:engleski
Izdano: Philipps-Universität Marburg 2012
Teme:
Online pristup:PDF cijeli tekst
Oznake: Dodaj oznaku
Bez oznaka, Budi prvi tko označuje ovaj zapis!