Virtual Screening and Drug Docking

Edited by some of the best scientists in the field, this series presents the latest updates in the field of medicinal chemistry

Julio Caballero (Series edited by)

9780323985956, Elsevier Science

Hardback, published 17 November 2022

264 pages
22.9 x 15.2 x 2.2 cm, 0.54 kg

Virtual Screening and Drug Docking, Volume 59 in the Annual Reports on Medicinal Chemistry series, highlights new advances in the field, with this new volume presenting interesting chapters on a variety of timely topics, including Can docking scoring functions guarantee success in virtual screening?, No dance, no partner! A tale of flexibility in docking and virtual screening, Handling Imbalance Data in Virtual Screening, Rational computational approaches to predict novel drug candidates against leishmaniasis, Virtual screening against Mtb DNA gyrase: Applications and success stories, Using Filters in Virtual Screening: A Brief Guide to Minimize Errors and Maximize Efficiency, and more.

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 Selçuk 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

Subject Areas: Chemistry [PN], Pharmacology [MMG]