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Advances in Molecular Docking and Simulation

Name: Advances in Molecular Docking and Simulation
Brand: KS OmniScriptum Publishing
SKU: 53247734
Price: 449.63 RON
Availability: InStock
Author: Arshma Khan
ISBN: 9786630051117

Arshma Khan

Limba

engleză

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Codul Libristo: 53247734

Editura KS OmniScriptum Publishing, iunie 2026

This book presents a comprehensive yet learner-centred exploration of molecular docking and simulati... Descrierea completă

Codul Libristo: 53247734

208 b

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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.