Virtual screening and drug docking

著者

書誌事項

Virtual screening and drug docking

Julio Caballero, editor

（Annual reports in medicinal chemistry / sponsored by the Division of Medicinal Chemistry of the American Chemical Society ; editor-in-chief: Cornelius K. Cain, v. 59）

Academic Press, c2022

  • : hbk

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注記

Includes references

内容説明・目次

内容説明

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. Additional chapters in the new release include Machine Learning and Deep Learning Strategies for Virtual Screening, Applications of the Virtual Screening to find the novel HIV-1 therapeutic agents, and Large-scale screening of small molecules with docking strategies and its impact on drug discovery.

目次

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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  • Annual reports in medicinal chemistry

    sponsored by the Division of Medicinal Chemistry of the American Chemical Society ; editor-in-chief: Cornelius K. Cain

    Academic 1965-

    1965 , 1966 , 1967 , 1968 , 1969 , 1970 , v. 4 , v. 5 , v. 6 , v. 7 , v. 8 , v. 9 , v. 10 , v. 11 , v. 12 , v. 13 , v. 14 , v. 15 , v. 16 , v. 17 , v. 18 , v. 19 , v. 20 , v. 21 , v. 22 , v. 23 , v. 24 , v. 25 , v. 26 , v. 27 , v. 28 , v. 29 , v. 30 , v. 31 , v. 32 , v. 33 , v. 34 , v. 35 , v. 36 , v. 37 , v. 38 , v. 39 , v. 40 , v. 41 , v. 42 , v. 43 , v. 44 , v. 45 , v. 46 , v. 47 , v. 48 , v. 49 , v. 50 , v. 51 , v. 52 , v. 53

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