June 01, 2017
The book "Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer" by Ilia A. Solov’yov, Andrei V. Korol and Andrey V. Solov’yov has been published by Springer in May 2017.
This book introduces a wide range of physical, chemical, biological and material science research areas that can be explored computationally by means of MBN Explorer – a multi-purpose software package designed to simulate structure and dynamics of complex molecular systems. It presents also MBN Studio – a specially designed multi-task toolkit and a graphical user interface to MBN Explorer which enables the easy set-up of input files, monitoring simulations, subsequent visualization and analysis of computation results.
The book provides a systematic description of the capabilities of this universal and powerful software package within the framework of computational molecular science, and guides readers through its applications in numerous areas of research in bio- and chemical physics and materials science – ranging from the nano- to the mesoscale. It describes the key research methodologies that have been proved to be successful and led to the better understanding of the mechanisms of clustering, self-organization, growth and structure formation in complex MesoBioNano systems. These methodologies often rely on novel computational approaches, algorithms and high-performance computing, which are introduced and discussed via a number of exemplar case studies.