Computer Simulations in Molecular Biology
From Quantum Mechanics to Molecular Dynamics
Series: Scientific Computation;
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Product details:
- Edition number 2023
- Publisher Springer Nature Switzerland
- Date of Publication 1 August 2023
- Number of Volumes 1 pieces, Book w. online files / update
- ISBN 9783031348389
- Binding Hardback
- No. of pages298 pages
- Size 235x155 mm
- Weight 635 g
- Language English
- Illustrations XIII, 298 p. 122 illus., 102 illus. in color. With online files/update. Illustrations, black & white 0
Categories
Long description:
This book covers a range of topics in quantum mechanics and molecular dynamics simulation, including computational modeling and machine learning approaches. The book also provides a Python GUI and tutorials for simulating molecular biological systems and presents case studies of quantum mechanics simulations for predicting electronic properties. Its pedagogical formatting makes it easy for students to understand and follow and has been praised for providing clear and detailed explanations of complex topics. This book is ideal for graduate students and researchers in theoretical and computational biophysics, physics, chemistry, and materials science, as well as postgraduates in applied mathematics, computer science, and bioinformatics.
MoreTable of Contents:
Quantum Mechanics Molecular Dynamics in Simulations.- Basis Set Functions.- Semi-Empirical Quantum Mechanics Molecular Dynamics.- Machine Learning Quantum Mechanics Molecular Dynamics.- Quantum Mechanics Simulations Package.
