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Amber 2021
Amber is the collective name for a suite of programs that allow users to carry out molecular dynamics simulations, particularly on biomolecules. None of the individual programs carries this name, but the various parts work reasonably well together, and provide a powerful framework for many common calculations. The term Amber is also used to refer to the empirical force fields that are implemented here. It should be recognized, however, that the code and force field are separate: several other computer packages have implemented the Amber force fields, and other force fields can be implemented with the Amber programs. Further, the force fields are in the public domain, whereas the codes are di...
Amber 2023
Amber is the collective name for a suite of programs that allow users to carry out molecular dynamics simulations, particularly on biomolecules. None of the individual programs carries this name, but the various parts work reasonably well together, and provide a powerful framework for many common calculations.[1, 2] The term Amber is also used to refer to the empirical force fields that are implemented here.[3, 4] It should be recognized, however, that the code and force field are separate: several other computer packages have implemented the Amber force fields, and other force fields can be implemented with the Amber programs. Further, the force fields are in the public domain, whereas the ...
A Meeting of Minds
Written by Judith Skelton Grant, A Meeting of Minds is the definitive account of Massey College s first fifty years, its many traditions, and the hundreds of fellows who have passed through its halls."
Molecular and Nano Electronics: Analysis, Design and Simulation
The aim of Molecular and Nano Electronics: Analysis, Design and Simulation is to draw together contributions from some of the most active researchers in this new field in order to illustrate a theory guided-approach to the design of molecular and nano-electronics. The field of molecular and nano-electronics has driven solutions for a post microelectronics era, where microelectronics dominate through the use of silicon as the preferred material and photo-lithography as the fabrication technique to build binary devices (transistors). The construction of such devices yields gates that are able to perform Boolean operations and can be combined with computational systems, capable of storing, proc...
International Assessment of Research and Development in Simulation-based Engineering and Science
Simulation-Based Engineering and Science (SBE&S) cuts across disciplines, showing tremendous promise in areas from storm prediction and climate modeling to understanding the brain and the behavior of numerous other complex systems. In this groundbreaking volume, nine distinguished leaders assess the latest research trends, as a result of 52 site visits in Europe and Asia and hundreds of hours of expert interviews, and discuss the implications of their findings for the US government. The authors conclude that while the US remains the quantitative leader in SBE&S research and development, it is very much in danger of losing that edge to Europe and Asia. Commissioned by the National Science Foundation, this multifaceted study will capture the attention of Fortune 500 companies and policymakers.
The Rise of Games and High-Performance Computing for Modeling and Simulation
The technical and cultural boundaries between modeling, simulation, and games are increasingly blurring, providing broader access to capabilities in modeling and simulation and further credibility to game-based applications. The purpose of this study is to provide a technical assessment of Modeling, Simulation, and Games (MS&G) research and development worldwide and to identify future applications of this technology and its potential impacts on government and society. Further, this study identifies feasible applications of gaming and simulation for military systems; associated vulnerabilities of, risks to, and impacts on critical defense capabilities; and other significant indicators and war...
Computational Modeling of Membrane Bilayers
Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology. Discusses the current state of electrostatics in biomolecular simulations and future directions Includes information on time and length scales in lipid bilayer simulations Includes a chapter on the nature of lipid rafts
Biomolecular Simulations in Structure-Based Drug Discovery
A guide to applying the power of modern simulation tools to better drug design Biomolecular Simulations in Structure-based Drug Discovery offers an up-to-date and comprehensive review of modern simulation tools and their applications in real-life drug discovery, for better and quicker results in structure-based drug design. The authors describe common tools used in the biomolecular simulation of drugs and their targets and offer an analysis of the accuracy of the predictions. They also show how to integrate modeling with other experimental data. Filled with numerous case studies from different therapeutic fields, the book helps professionals to quickly adopt these new methods for their curre...
Evolutionary Computation in Gene Regulatory Network Research
Introducing a handbook for gene regulatory network research using evolutionary computation, with applications for computer scientists, computational and system biologists This book is a step-by-step guideline for research in gene regulatory networks (GRN) using evolutionary computation (EC). The book is organized into four parts that deliver materials in a way equally attractive for a reader with training in computation or biology. Each of these sections, authored by well-known researchers and experienced practitioners, provides the relevant materials for the interested readers. The first part of this book contains an introductory background to the field. The second part presents the EC appr...
