Free Energy Methods in Drug Discovery: Current State and Future Directions /

Panoramic Review of Free Energy Methods. Continuous improvement in both hardware and software has resulted in the widespread use of rigorous free energy methodologies in the field of drug discovery. Given this, the practitioner, development, and commercial communities find themselves in ever closer...

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Bibliographic Details
Main Authors: Armacost, Kira A., editor 645622, Thompson, David C., editor 645623, ACS Publications (Online service) 645714
Format: text
Language:eng
Published: Washington, DC : American Chemical Society, 2021
Subjects:
Online Access:https://pubs.acs.org/doi/book/10.1021/bk-2021-1397
Description
Summary:Panoramic Review of Free Energy Methods. Continuous improvement in both hardware and software has resulted in the widespread use of rigorous free energy methodologies in the field of drug discovery. Given this, the practitioner, development, and commercial communities find themselves in ever closer collaboration working to apply these methodologies in the search for novel therapeutic agents. This work presents contributions from expert leaders across the free energy field and explores both the current and possible future states of method development, application, and utilization. Researchers engaged in computational, physical, and pharmaceutical research will find this collection valuable.