Download Computational Drug Discovery: Methods and Applications 2nd edition 2 volume set 2024
Computational Drug Discovery: Methods and Applications (2 volume set) 2nd Edition book pdf download. covers a wide range of cutting-edge computational technologies and computational chemistry methods that are transforming drug discovery. The book delves into recent advances, particularly focusing on artificial intelligence (AI) and its application for protein structure prediction, AI-enabled virtual screening, and generative modeling for compound design. Additionally, it covers key technological advancements in computing such as quantum and cloud computing that are driving innovations in drug discovery.
To offer the most up-to-date information on computational methods utilized in Computational Drug Discovery, it covers chapters highlighting the use of molecular dynamics and other related methods, application of QM and QM/MM methods in computational drug design, and techniques for navigating and visualizing the chemical space, as well as leveraging big data to drive drug discovery efforts.
- Application of molecular dynamics simulations and related approaches in drug discovery
- The application of QM, hybrid approaches such as QM/MM, and fragment molecular orbital framework for understanding protein-ligand interactions
- Adoption of artificial intelligence in pre-clinical drug discovery, encompassing protein structure prediction, generative modeling for de novo design, and virtual screening.
- Techniques for navigating and visualizing the chemical space, along with harnessing big data to drive drug discovery efforts.
- Methods for performing ultra-large-scale virtual screening for hit identification.
- Computational strategies for designing new therapeutic models, including PROTACs and molecular glues.
- In silico ADMET approaches for predicting a variety of pharmacokinetic and physicochemical endpoints.
- The role of computing technologies like quantum computing and cloud computing in accelerating drug discovery
- Author (s): Vasanthanathan Poongavanam (Editor), Vijayan Ramaswamy
- Year of publication: 2024
- Publisher: Wiley-VCH
- Writing language: English
- ISBN: 3527351663, 9783527351664, 9783527353743, 9783527840724, 9783527840731, 9783527840748, 9783527353750, 9783527840724, 9783527840731, 9783527840748
- Number of pages: 739 pages
- Book format: PDF
- File size: 9 MB
