LEADER 02619nam 2200529 450 001 9910736031003321 005 20231020211212.0 010 $a3-031-34839-7 024 7 $a10.1007/978-3-031-34839-6 035 $a(CKB)27901361400041 035 $a(DE-He213)978-3-031-34839-6 035 $a(MiAaPQ)EBC30766900 035 $a(Au-PeEL)EBL30766900 035 $a(PPN)272261068 035 $a(MiAaPQ)EBC30670585 035 $a(Au-PeEL)EBL30670585 035 $a(EXLCZ)9927901361400041 100 $a20231020d2023 uy 0 101 0 $aeng 135 $aurnn|008mamaa 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aComputer Simulations in Molecular Biology /$fHiqmet Kamberaj 205 $aFirst edition. 210 1$aCham, Switzerland :$cSpringer Nature Switzerland AG,$d[2023] 210 4$dİ2023 215 $a1 online resource (XIII, 298 p. 122 illus., 102 illus. in color.) 225 1 $aScientific Computation Series 311 $a9783031348389 320 $aIncludes bibliographical references and index. 327 $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. 330 $aThis book covers a range of topics in quantum mechanics and molecular dynamics simulation, including computational modeling and machine learning approaches. The book also provides a Python GUI and tutorials for simulating molecular biological systems and presents case studies of quantum mechanics simulations for predicting electronic properties. Its pedagogical formatting makes it easy for students to understand and follow and has been praised for providing clear and detailed explanations of complex topics. This book is ideal for graduate students and researchers in theoretical and computational biophysics, physics, chemistry, and materials science, as well as postgraduates in applied mathematics, computer science, and bioinformatics. 410 0$aScientific computation. 606 $aMolecular biology$xComputer simulation 606 $aQuantum theory$xComputer simulation 615 0$aMolecular biology$xComputer simulation. 615 0$aQuantum theory$xComputer simulation. 676 $a572.80285 700 $aKamberaj$b Hiqmet$0843402 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910736031003321 996 $aComputer Simulations in Molecular Biology$93564537 997 $aUNINA