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MedusaScore: An Accurate Force-Field Based Scoring Function for Virtual Drug Screening

Virtual screening is becoming an important tool for drug discovery. However, the application of virtual screening has been limited by the lack of accurate scoring functions. Here, we present a novel scoring function, MedusaScore, for evaluating protein-ligand binding. MedusaScore is based on models...

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Detalhes bibliográficos
Main Authors: Yin, Shuangye, Biedermannova, Lada, Vondrasek, Jiri, Dokholyan, Nikolay V.
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2665000/
https://ncbi.nlm.nih.gov/pubmed/18672869
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci8001167
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