CBSF: A New Empirical Scoring Function for Docking Parameterized by Weights of Neural Network
Syrlybaeva Raulia R., Talipov Marat R. · Computational and Mathematical Biophysics · 2019
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Computational screening of known broad-spectrum antiviral small organic molecules for potential influenza HA stem inhibitors.
Shilu Mathew, Asmaa A Al Thani, Hadi M Yassine · PLoS ONE · 2018
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A QSAR approach for virtual screening of lead-like molecules en route to antitumor and antibiotic drugs from marine and microbial natural products
Florbela Pereira, Diogo A. R. S. Latino · Frontiers in Marine Science · 2014
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Identification of neurological disease targets of natural products by computational screening
Janez Konc · Neural Regeneration Research · 2019
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Theoretical Study of Molecular Structure and Physicochemical Properties of Novel Factor Xa Inhibitors and Dual Factor Xa and Factor IIa Inhibitors
Milan Remko, Anna Remková, Ria Broer · Molecules · 2016
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BALL - biochemical algorithms library 1.3
Stöckel Daniel, Moll Andreas, Toussaint Nora C et al. · BMC Bioinformatics · 2010
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Studies of Medicinal Compounds against Hepatitis C Capsid Protein from North India
Shilu Mathew, Muhammad Faheem, Govindaraju Archunan et al. · Bioinformatics and Biology Insights · 2014
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In Silico Identification of Novel Aromatic Compounds as Potential HIV-1 Entry Inhibitors Mimicking Cellular Receptor CD4
Alexander M. Andrianov, Grigory I. Nikolaev, Yuri V. Kornoushenko et al. · Viruses · 2019
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Elucidating Drug-Enzyme Interactions and Their Structural Basis for Improving the Affinity and Potency of Isoniazid and Its Derivatives Based on Computer Modeling Approaches
Auradee Punkvang, Patchreenart Saparpakorn, Supa Hannongbua et al. · Molecules · 2010
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Improvements in docking scoring functions: the physics-based perspective
Barril Xavier · Journal of Cheminformatics · 2012
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