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Computer simulations in molecular biology

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Computer simulations in molecular biologyby Hiqmet Kamberaj.
作者:	Kamberaj, Hiqmet.
出版者:	Cham :Springer Nature Switzerland :2023.
面頁冊數:	xiii, 298 p. :ill. (some col.), digital ;24 cm.
Contained By:	Springer Nature eBook
標題:	Quantum theoryComputer simulation.
電子資源:	https://doi.org/10.1007/978-3-031-34839-6
ISBN:	9783031348396$q(electronic bk.)

Computer simulations in molecular biology
Kamberaj, Hiqmet.

Computer simulations in molecular biology[electronic resource] /by Hiqmet Kamberaj. - Cham :Springer Nature Switzerland :2023. - xiii, 298 p. :ill. (some col.), digital ;24 cm. - Scientific computation,2198-2589. - Scientific computation..

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.

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.

ISBN: 9783031348396$q(electronic bk.)

Standard No.: 10.1007/978-3-031-34839-6doiSubjects--Topical Terms:

468352
Quantum theory
--Computer simulation.

LC Class. No.: QC174.12

Dewey Class. No.: 530.120113

Computer simulations in molecular biology
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505 0 $a 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.
520 $a 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.
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