000			01768cam a2200229 i 4500
020			_a9783031348396
020			_a3031348397
082	0	4	_aHQ506 .K36 2022, 30.1201/13
100	1		_aKamberaj, Hiqmet,
245	1	0	_aComputer simulations in molecular biology / _cHiqmet Kamberaj
264		1	_aCham : _bSpringer, _c2023
300			_a1 online resource (xiii, 298 pages) : _billustrations (some color)
490	1		_aScientific computation,
505	0		_aQuantum 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			_aThis 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
650		0	_aQuantum theory
650		0	_aMolecular biology
856	4	0	_uhttps://rave.ohiolink.edu/ebooks/ebc2/9783031348396
856	4	0	_uhttps://link.springer.com/10.1007/978-3-031-34839-6
856	4	0	_uhttps://go.ohiolink.edu/goto?url=https://link.springer.com/10.1007/978-3-031-34839-6
942			_2lcc _cBK
999			_c13905 _d13905