Overview
Compiles a number of realistic and illustrative applications with color figures
Covers industrial activities of pharmaceutical companies
Addresses extensions of FMO to future computational environments
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Table of contents (30 chapters)
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New Methods and Applications
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New Methodology and Framework
Keywords
About this book
Editors and Affiliations
About the editors
Yuji Mochizuki received his Ph.D. degree in quantum chemistry in 1990 from Hokkaido University. He worked at the NEC Corporation (1990–1997) and Japan
Atomic Energy Research Institute (1997–2003). Then, he started the code development works and related applications of the FMO method with the
ABINIT-MP program at the University of Tokyo (2003–2006). Currently, he is a Professor of chemistry at Rikkyo University. His research interests are spread over multiscale simulations, machine-learning analyses of calculated results, and high-performance computing, besides the development of ABINIT-MP.
Shigenori Tanaka, Dr. Sci., Professor, Kobe University
Shigenori Tanaka received his Ph.D. in theoretical physics in 1986 from the University of Tokyo. He worked as a Research Associate at the University of Tokyo and later as a Researcher at the Toshiba Research and Development Center. Meanwhile, he worked at the California Institute of Technology in 1995–1996 as a Visiting Researcher. Since 2004, he has been a Professor at Kobe University. His primary research interests are the development of first-principles computational methods for biomolecular systems and their applications for bottom-up modeling of biological phenomena.
Kaori Fukuzawa, Dr. Eng., Associate Professor, Hoshi University
Kaori Fukuzawa received her M.S. in quantum chemistry from Rikkyo University in 1997 and Ph.D. in applied quantum chemistry from the University of Tokyo in 2001. She worked at the Mizuho Information and Research Institute (2000–2014) and Nihon University (2014–2016). She has been an Associate Professor at Hoshi University since 2016. Her research interests include application of quantum chemistry for in silico drug discovery, computational structural biology, and understanding chemical phenomena of biomolecular systems.
Bibliographic Information
Book Title: Recent Advances of the Fragment Molecular Orbital Method
Book Subtitle: Enhanced Performance and Applicability
Editors: Yuji Mochizuki, Shigenori Tanaka, Kaori Fukuzawa
DOI: https://doi.org/10.1007/978-981-15-9235-5
Publisher: Springer Singapore
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Nature Singapore Pte Ltd. 2021
Hardcover ISBN: 978-981-15-9234-8Published: 05 January 2021
Softcover ISBN: 978-981-15-9237-9Published: 06 January 2022
eBook ISBN: 978-981-15-9235-5Published: 04 January 2021
Edition Number: 1
Number of Pages: XI, 616
Number of Illustrations: 38 b/w illustrations, 231 illustrations in colour
Topics: Theoretical and Computational Chemistry, Pharmacy, Pharmaceutical Sciences/Technology, Physical Chemistry