Advances in Molecular Docking and Simulation: Basic to Advance Progression for Learners - Softcover

Khan, Arshma

Softcover

ISBN 10: 6630051114 ISBN 13: 9786630051117

Verlag: LAP LAMBERT Academic Publishing, 2026

Inhaltsangabe

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.

Über diesen Titel

Über die Autorin bzw. den Autor

Arshma Khan is a dedicated academic and emerging researcher in Biotechnology, with a strong foundation in life sciences, teaching, and scientific inquiry. She is currently pursuing doctoral research and has built meaningful academic experience as a Lecturer in KCMT College Bareilly. Her expertise spans to biotechnology and bio-allied Sciences.

Details zur Ausgabe

• Verlag: LAP LAMBERT Academic Publishing
• Erscheinungsdatum: 2026
• Sprache: Englisch
• ISBN 10: 6630051114
• ISBN 13: 9786630051117
• Einband: Taschenbuch
• Anzahl der Seiten: 148
• Kontakt zum Hersteller: Nicht verfügbar
• Verantwortliche Person: KreGa Onlinehandel GmbH; 4950000000000; info@krega-onlinehandel.de; ; Birkenweg 31; Brakel; 33034; Deutschland