Sign-In
Cart
Computational Strategies for the Design of New Bioactive Molecules: Drug Design Techniques
Paperback
Series: Springerbriefs in Molecular Science
Technology & EngineeringChemistry
ISBN13: 9783032369161
Publisher: Springer
Published: Nov 10 2026
Pages: 76
Language: English
This book offers a comprehensive introduction to computational methods used in modern drug discovery, combining theoretical foundations with practical applications. It covers key concepts such as quantum chemistry, molecular modeling, molecular mechanics, and molecular dynamics, along with techniques for analyzing simulations. The text also explores essential drug design approaches, including various QSAR methods, molecular docking strategies, and the use of artificial intelligence and machine learning in predictive modeling. Additionally, it addresses important aspects of drug development such as physicochemical properties, pharmacokinetics, and toxicity prediction. Overall, the book provides a structured workflow and practical guidance for using computational tools in the design and optimization of bioactive molecules, making it valuable for students, researchers, and professionals in medicinal chemistry and pharmaceutical science.
Also from
Er-Rajy, Mohammed
Maitrise statistique du remplissage des bouteilles de boisson gazeuse
Er-Rajy, Mohammed
Lhassani, Abdelhadi
Paperback
Guia de Utilização Das Tecnologias Da Informação E Comunicação Na Escola Primária
Er-Rajy, Mohammed
Paperback
Instrukcja Korzystania Z Technologii Informacyjno-Komunikacyjnych W Szkole Podstawowej
Er-Rajy, Mohammed
Paperback
Also in
Chemistry
Everything Is Tuberculosis: The History and Persistence of Our Deadliest Infection
Green, John
Hardcover
The Iceman Inheritance: Prehistoric Sources of Western Man's Racism, Sexism and Aggression
Bradley, Michael
Paperback
5 Steps to a 5: AP Chemistry 2027: Practice AP Tests + AP Content Review + Digital Exams
Moore, John T.
Paperback
Princeton Review AP Chemistry Premium Prep, 28th Edition: 7 Practice Tests + Digital Practice Online + Content Review
The Princeton Review
Paperback
AP Chemistry Premium, 2027: Prep Book with 6 Practice Tests + Comprehensive Review + Online Practice
Jespersen, Neil D., PH. D.
Kerrigan, Pamela, PH. D.
Paperback
Liquid Rules: The Delightful and Dangerous Substances That Flow Through Our Lives
Miodownik, Mark
Paperback
Herbal Pharmacy: The Science and Magic of Preparing and Administering Plant Medicine
Bancroft, Betzy
Paperback
BioGeometry Signatures: Harmonizing the Body's Subtle Energy Exchange with the Environment
Karim Dr Sc, Ibrahim
Paperback
Princeton Review AP Chemistry Premium Prep, 27th Edition: 7 Practice Tests + Digital Practice Online + Content Review
The Princeton Review
Paperback
The Age of Alchemy: The Secret History of Chemistry from Ancient Magic to Modern Science
Chapman, Kit
Hardcover
The Flavor Matrix: The Art and Science of Pairing Common Ingredients to Create Extraordinary Dishes
Briscione, James
Parkhurst, Brooke
Hardcover
Stuff Matters: Exploring the Marvelous Materials That Shape Our Man-Made World
Miodownik, Mark
Paperback
Liquid Soapmaking: Tips, Techniques and Recipes for Creating All Manner of Liquid and Soft Soap Naturally!
Thompson, Jackie
Paperback
Periodic Tales: A Cultural History of the Elements, from Arsenic to Zinc
Aldersey-Williams, Hugh
Paperback
The Color of North: The Molecular Language of Proteins and the Future of Life
Rizk, Shahir S.
Fink, Maggie M.
Hardcover
The One Thing You Need to Know: The Simple Way to Understand the Most Important Ideas in Science
Chown, Marcus
Paperback
Sciencia: Mathematics, Physics, Chemistry, Biology, and Astronomy for All
Watkins, Matthew
Betts, Moff
Tweed, Matt
Hardcover
Science and Cooking: Physics Meets Food, from Homemade to Haute Cuisine
Brenner, Michael
Sörensen, Pia
Weitz, David
Hardcover
Schaum's Outline of College Chemistry: 1,340 Solved Problems + 23 Videos
Krieger, Peter
Epstein, Lawrence M.
Rosenberg, Jerome
Paperback
The Telomere Effect: A Revolutionary Approach to Living Younger, Healthier, Longer
Blackburn, Elizabeth
Epel, Elissa
Paperback
Reactions: An Illustrated Exploration of Elements, Molecules, and Change in the Universe
Gray, Theodore
Paperback
Elements: A Visual Exploration of Every Known Atom in the Universe, Book 1 of 3
Gray, Theodore
Hardcover
Physics and Chemistry Comic Book: Science Book for Kids Age 8-12 Comic Adventures & Fun Experiments
Bollino, Giulia
Paperback
Dopamina: Cómo Una Molécula Condiciona de Quién Nos Enamoramos, Con Quién Nos Acostamos, a Quién Votamos Y ... / The Molecule of More
Lieberman, Daniel Z.
Paperback
Reactions: An Illustrated Exploration of Elements, Molecules, and Change in the Universe, Book 3 of 3
Gray, Theodore
Hardcover
Exploring the World of Chemistry: From Ancient Metals to High-Speed Computers
Tiner, John Hudson
Paperback
Practice Makes Perfect Chemistry Review and Workbook, Second Edition
Hattori, Heather
DeWane, Marian
Paperback
Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory
Szabo, Attila
Ostlund, Neil S.
Paperback
The Science of Cleaning: Use the Power of Chemistry to Clean Smarter, Easier, and Safer-With Solutions for Every Kind of Dirt
Bressanini, Dario
Paperback
An Introduction to Error Analysis, Third Edition: The Study of Uncertainties in Physical Measurements
Taylor, John R.
Paperback
Schaum's Outline of Organic Chemistry, Sixth Edition
Meislich, Herbert
Nechamkin, Howard
Sharefkin, Jacob
Paperback
The Elements: An Illustrated History of the Periodic Table (100 Ponderables) Revised and Updated
Jackson, Tom
Hardcover
Revise IB: Biology Exam Practice Workbook - Higher Level (Second Edition)
Bragg, Sarah
Jaradat, Nadia
Paperback
Illustrated Guide to Home Chemistry Experiments: All Lab, No Lecture
Thompson, Robert Bruce
Paperback
Lippincott(r) Illustrated Reviews: Biochemistry
Franklin, David S.
Abali, Emine Ercikan
Cline, Susan D.
Paperback
Chemistry: Concepts and Problems, a Self-Teaching Guide
Houk, Clifford C.
Post, Richard
Snyder, Chad
Paperback
La Solución de Los Telómeros: Aprende a Vivir Sano Y Feliz / The Telomere Effect
Blackburn, Elizabeth
Epel, Elissa
Paperback
Dmt Extraction Guide: A Step-by-Step Guide to Safely Extracting DMT from Natural Sources at Home
J. Pare, Adell
Paperback
Schaum's Outline of General, Organic, and Biochemistry for Nursing and Allied Health
Blei, Ira
Odian, George
Paperback
Nature's Amazing Chemistry: Reflections on Its Complexity and Diversity
Freemantle, Michael
Hardcover
Balancing Chemical Equations Worksheets (Over 200 Reactions to Balance): Chemistry Essentials Practice Workbook with Answers
McMullen, Chris
Paperback
The Essential Guide to Peptides: Boost Strength, Speed Recovery, and Transform Your Body from Within
Williams, Mark
Paperback
Chemistry All-In-One for Dummies (+ Chapter Quizzes Online)
Mikulecky, Peter J.
Hren, Christopher R.
Moore, John T.
Paperback
Michael Faraday's The Chemical History of a Candle: With Guides to Lectures, Teaching Guides & Student Activities
DeCoste, Donald J.
Hammack, William S.
Paperback
The Science of Cooking: Understanding the Biology and Chemistry Behind Food and Cooking
Provost, Joseph J.
Colabroy, Keri L.
Kelly, Brenda S.
Paperback
Luminous Phenomena: A Story of Spontaneous Combustion, Phosphorescence and Other Cold Lights
Pentecost, Allan
Hardcover
The Rheology Handbook: For users of rotational and oscillatory rheometers
Mezger, Thomas G.
Hardcover
A Rainbow Palate: How Chemical Dyes Changed the West's Relationship with Food
Cobbold, Carolyn
Paperback
The Mystery of Life's Origin: The Continuing Controversy
Bradley, Walter L.
Olsen, Roger L.
Thaxton, Charles B.
Paperback