Advances in Molecular Docking and Simulation (Paperback)

Language: English

Published by LAP Lambert Academic Publishing, 2026

6630051114 / 9786630051117

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Paperback. This book presents a comprehensive yet learner-centred exploration of molecular docking and simulation, progressing from foundational principles to advanced computational strategies in modern drug discovery. It covers target and ligand preparation, docking algorithms, scoring functions, molecular dynamics, enhanced sampling, free-energy calculations, specialised biological targets, artificial intelligence, ADMET integration, workflow automation, validation, ethics, and future directions. Its significance lies in bridging theoretical understanding with practical scientific application, helping students, researchers, and early-career professionals interpret computational predictions with accuracy, reproducibility, and experimental relevance. By positioning docking and simulation as disciplined, evidence-guided tools rather than isolated software procedures, the book contributes meaningfully to reliable, modern, and responsible computational drug-discovery practice. This item is printed on demand. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability.

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Bibliographic details

Title
Advances in Molecular Docking and Simulation (Paperback)
Author
Arshma Khan
Publisher
LAP Lambert Academic Publishing
Publication year
2026
Condition
new
Binding
Paperback
Language
English
ISBN 10
6630051114
ISBN 13
9786630051117

CitiRetail

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