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Industrial Applications of Molecular Simulations

Applications of Molecular Simulations demonstrates the capability of molecular modeling to tackle problems of industrial relevance. This book presents;

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Industrial Applications of Molecular Simulations

Applications of Molecular Simulations demonstrates the capability of molecular modeling to tackle problems of industrial relevance. This book presents;

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Computational Methods to Study the Structure and Dynamics of Biomolecules and Bi

of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second;

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Advances and Applied Principles of Molecular Dynamics

This book elucidates the ever-growing applications of molecular dynamics simulations to overcome a broad spectrum of scientific and;

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Molecular Simulations Fundamentals &

Provides hands-on knowledge enabling students of and researchers in chemistry, biology, and engineering to perform molecular simulations;

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Biomolecular Simulations

Over the past 40 years the field of molecular simulations has evolved from picosecond studies of isolated macromolecules in vacuum to;

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Molecular Simulation Studies on Thermophysical Properties

This book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions;

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Molecular Dynamics

The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields;

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Docking Screens for Drug Discovery

discovery. Written for the highly successful Methods in Molecular Biology series, this collection presents the kind of detail and key implementation;

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Molecular Dynamics Simulations

Molecular dynamics method is a numerical statistical mechanics technique for integration of the equations of motion for a many-particle;

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Modelling of Molecular Properties

Modelling of Molecular Properties: Theoretical Principles and Numerical Simulations considers various aspects of Modelling of Molecular;

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Multiscale Modeling in Nanophotonics: Materials and Simulations

, strongly depend on its interactions with its molecular environment. Therefore, the multiscale simulations used to predict the properties of organic;

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Molecular Kinetics in Condensed Phases

A guide to the theoretical and computational toolkits for the modern study of molecular kinetics in condensed phases Molecular Kinetics;

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Aqueous Phase Adsorption

This book covers theoretical aspects of adsorption, followed by an introduction to molecular simulations and other numerical techniques;

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Advances in Molecular Dynamics Simulations Research

This work presents three chapters, each of which detail a recent advancement in the field of molecular dynamics simulations research;

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Computer Simulations

been used in industrial applications, fundamental research and in computer-aided education and visualization. In this book, the authors present;

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An Introduction to Molecular Dynamics

recognition of atomic environments and to the investigation of the local order in molecular dynamics-simulated materials. Next, the authors discuss;

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Scientific Simulations with SpecialPurpose Computers

, hydrodynamics and molecular dynamics. Special purpose computers have been developed to handle these highly complex problems. Scientific Simulations with;

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Multiscale Molecular Methods in Applied Chemistry

First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes, by A;

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Encyclopedia of Molecular Dynamics

Molecular systems consist of a vast number of particles whose physical movements can be studied under molecular dynamics. This book is a;

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Theoretical Modelling and Numerical Simulations Toward Industry 4 0

This book presents theoretical modeling and numerical simulations applied to drive several applications towards Industrial Revolution 4.0;

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Multiphysics Simulations in Automotive and Aerospace Applications

implicit or explicit coupling problems from industrial or academic applications. Given the book's comprehensive coverage, automotive and aerospace;

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Polymer Colloids

Academic and industrial research around polymer-based colloids is huge, driven both by the development of mature technologies, e.g. latexes;

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Annual Reports in Computational Chemistry

applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and;

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Annual Reports in Computational Chemistry

applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and;

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Annual Reports in Computational Chemistry

applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and;

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Industrial Applications of Glycoside Hydrolases

This book gathers selected studies on the industrial applications of glycoside hydrolases (GHs), presenting an updated classification;

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