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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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Modelling Molecular Structures

, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity;

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Computer Simulation of Polymers

at the complex problems of time and size scaling in molecular modelling and simulation and includes not only atomistic modelling, but also;

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Molecular Modelling and Bonding

Why do molecules adopt particular shapes? What determines the physical and chemical properties of a material? Molecular Modelling and;

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TEXTBOOK OF Molecular modelling and drug designing

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Computational Molecular Modelling in Structural Biology

Computational Molecular modelling in Structural Biology, Volume 113, the latest release in the Advances in Protein Chemistry and;

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Modelling of GPCRs

that a large number of drugs, available on market, address GPCRs. For an efficient and improved development of appropriate drugs, molecular;

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Quantum Computational Chemistry

This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First;

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Quantum Computational Chemistry

This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First;

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Molecular Modelling

This book is a practical, easy to use guide for readers with limited experience of molecular modelling. It will provide students at the;

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Molecular Modelling Fur Anwender

Anwendung von Kraftfeld und MOMethoden in der organischen Chemie.;...

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Molecular Modeling Geochemical Reactions

Molecular processes in nature affect human health, the availability of resources and the Earth s climate. Molecular modelling is a powerful;

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Guide to Cytochromes P450

methodology available to determine their nature, including molecular modelling, X-ray crystallography, spectroscopy, and molecular biology.;

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Guide to Cytochromes P450

methodology available to determine their nature, including molecular modelling, X-ray crystallography, spectroscopy, and molecular biology.;

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Molecular Simulation in Material & Biological Research

This important book focuses on the different aspects of molecular simulation in material and biological research, on the computational and;

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Computational Modelling of Nanomaterials

broad range of techniques, including density functional theory, molecular dynamics, non-equilibrium molecular dynamics, finite element modelling;

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In Silico Medicinal Chemistry

Covering computational tools in drug design using techniques from chemoinformatics, molecular modelling and computational chemistry, this;

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Foundations of Molecular Modeling and Simulation

This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation;

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Models Of The Ecological Hierarchy

range of problems ranging from the molecular level, through populations, ecosystems, landscapes, networks, through to the global ecosphere.

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Structured Biological Modelling

of cell biological systems. This unique guide brings together the physiological, structural, molecular biological, and theoretical aspects of the;

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Recent Progress in Chemistry & Chemical Engineering Research

demanding consumer of new mathematical results. From theoretical chemistry and quantum chemistry, to applied fields such as molecular modelling;

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Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions

Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions continues the tradition of the Advances;

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Concepts and Experimental Protocols of Modelling and Informatics in Drug Design

-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular;

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Multiscale Modelling of Soft Matter

, self-assembled structures and the links between molecular structure and bulk properties - Membranes: including collective processes in lipid;

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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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Computer Modelling of Structural Transformations of Nanopores in Fcc Metals

, Molecular Dynamics, Fcc Metals, Defect Structures in Crystals, Radiation Material Science, Nano-Engineering of Materials, Ultrasonic Treatment;

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Advances in Chemical Modeling

conformation, specific rotation, intra-molecular proton transfer, nucleophilic substitution, DFT algorithms; Modelling Experimental Chemistry: Studying;

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