Virtual Screening and Drug Docking

1. Can docking scoring functions guarantee success in virtual screening? Yunierkis Perez-Castillo 2. No dance, no partner! A tale of flexibility in docking and virtual screening Attilio Vittorio Vargiu 3. Handling Imbalance Data in Virtual Screening Selcuk Korkmaz 4. Rational computational approaches to predict novel drug candidates against leishmaniasis Rodrigo Ochoa, Christian Bustamante and Carlos Muskus 5. Virtual screening against Mtb DNA gyrase: Applications and success stories Dharmarajan Sriram 6. Using Filters in Virtual Screening: A Brief Guide to Minimize Errors and Maximize Efficiency Mohammad A. Ghattas V 7. Machine Learning and Deep Learning Strategies for Virtual Screening Waqar Hussain 8. Applications of the Virtual Screening to find the novel HIV-1 therapeutic agents Sanjeev Kumar Singh 9. Large-scale screening of small molecules with docking strategies and its impact on drug discovery Sanjeev Kumar Singh

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• Farmacologia
• Química

docking scoring functions; drug discovery; novel drug prediction; Machine Learning; Deep Learning