Screen LibraryBiomolecular simulations : methods and protocols /
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| Group Author: | ; |
|---|---|
| Published: |
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| Literature type: | Book |
| Language: | English |
| Series: |
Methods in molecular biology,
924 Springer protocols |
| Subjects: | |
| Carrier Form: | xiii, 702 p. : ill. (some col.) ; 25 cm. |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: |
9781627030168 (hbk.) : 1627030166 (alk. paper) 9781627030175 (eBook) 1627030174 (eBook) |
| Index Number: | QP517 |
| CLC: | Q7-32 |
| Call Number: | Q7-32/B615-1 |
| Contents: |
Ab Initio, density functional theory, and semi-empirical calculations / Ab Initio molecular dynamics / Introduction to QM/MM simulations / Computational enzymology / QM and QM/MM simulations of proteins / Classical molecular dynamics in a nutshell / Enhanced sampling algorithms / Force fields for classical molecular dynamics / Polarizable force fields / Electrostatics interactions in classical simulations / Introduction to best practices in free energy calculations / Recipes for free energy calculations in biomolecular systems / Molecular docking methodologies / Simulation studies of the mechanism of membrane transporters / Molecular dynamics simulations of lipid bilayers : simple recipe of how to do it / Simulations of lipid monolayers / Simulating DNA by molecular dynamics : aims, methods, and validation / Simulation of carbohydrates, from molecular docking to dynamics in water / Systematic methods for structurally consistent coarse-grained models / Martini coarse-grained force field / Multiscale molecular modeling / Coarse-grained models for protein folding and aggregation / Elastic network models : theoretical and empirical foundations / Introduction to dissipative particle dynamics / Multiscale molecular dynamics simulations of membrane proteins / Vesicles and vesicle fusion : coarse-grained simulations / |