MedusaScore: An Accurate Force Field-Based Scoring Function for Virtual Drug Screening
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چکیده
منابع مشابه
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 of physical interactions that include van der Waals, solvation, and hydrogen bonding energies. To...
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Govardhan A. Balaji, Vitukudi N. Balaji and Shashidhar N. Rao* Department of Chemistry, St Joseph’s College, 36 Langford Road, Bangalore 560 027, India Structure Directed Molecular Design, Jubilant Biosys Ltd, #96, Industrial Suburb II Stage, Yeshwantpur, Bangalore 560 022, India Tripos – A CertaraTM Company, 1699 South Hanley Road, St Louis MO 63144, USA Present address: Department of Chemistr...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2008
ISSN: 1549-9596,1549-960X
DOI: 10.1021/ci8001167