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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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Autori principali: Yin, Shuangye, Biedermannova, Lada, Vondrasek, Jiri, Dokholyan, Nikolay V.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2008
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Accesso online: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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