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- 2012946729 contributor B12703770.
- 2012946729 created "c2013.".
- 2012946729 date "2013".
- 2012946729 date "c2013.".
- 2012946729 dateCopyrighted "c2013.".
- 2012946729 description "Ab Initio, density functional theory, and semi-empirical calculations / Mikael P. Johansson, Ville R.I. Kaila, and Dage Sundholm -- Ab Initio molecular dynamics / Kari Laasonen -- Introduction to QM/MM simulations / Gerrit Groenhof -- Computational enzymology / Alessio Lodola and Adrian J. Mulholland -- QM and QM/MM simulations of proteins / Thomas Steinbrecher and Marcus Elstner -- Classical molecular dynamics in a nutshell / Susanna Hug -- Enhanced sampling algorithms / Ayori Mitsutake, Yoshiharu Mori, and Yuko Okamoto -- Force fields for classical molecular dynamics / Luca Monticelli and D. Peter Tieleman -- Polarizable force fields / Hanne S. Antila and Emppu Salonen -- Electrostatics interactions in classical simulations / G. Andres Cisneros, Volodymyr Babin, and Celeste Sagui -- Introduction to best practices in free energy calculations / Michael R. Shirts and David L. Mobley -- Recipes for free energy calculations in biomolecular systems / Mahmoud Moradi ... [et al.] -- Molecular docking methodologies / Andrea Bortolato ... [et al.] -- Simulation studies of the mechanism of membrane transporters / Giray Enkavi ... [et al.] -- Molecular dynamics simulations of lipid bilayers : simple recipe of how to do it / Hector Martinez-Seara and Tomasz Rog -- Simulations of lipid monolayers / Svetlana Baoukina and D. Peter Tieleman -- Simulating DNA by molecular dynamics : aims, methods, and validation / Nicolas Foloppe, Marc Gueroult, and Brigitte Hartmann -- Simulation of carbohydrates, from molecular docking to dynamics in water / Nicolas Sapay, Alessandra Nurisso, and Anne Imberty -- Systematic methods for structurally consistent coarse-grained models / W.G. Noid -- Martini coarse-grained force field / Xavier Periole and Siewert-Jan Marrink -- Multiscale molecular modeling / Matej Praprotnik and Luigi Delle Site -- Coarse-grained models for protein folding and aggregation / Philippe Derreumaux -- Elastic network models : theoretical and empirical foundations / Yves-Henri Sanejouand -- Introduction to dissipative particle dynamics / Zhong-Yuan Lu and Yong-Lei Wang -- Multiscale molecular dynamics simulations of membrane proteins / Syma Khalid and Peter J. Bond -- Vesicles and vesicle fusion : coarse-grained simulations / Julian C. Shillcock.".
- 2012946729 description "Includes bibliographical references and index.".
- 2012946729 extent "xiii, 702 p. :".
- 2012946729 identifier "1627030166 (hbk. : alk. paper)".
- 2012946729 identifier "9781627030168 (hbk. : alk. paper)".
- 2012946729 identifier 2012946729-d.html.
- 2012946729 identifier 2012946729-t.html.
- 2012946729 isPartOf "Methods in molecular biology (Clifton, N.J.) ; v. 924.".
- 2012946729 isPartOf "Methods in molecular biology ; 924".
- 2012946729 issued "2013".
- 2012946729 issued "c2013.".
- 2012946729 language "eng".
- 2012946729 publisher "New York : Humana Press ; Springer,".
- 2012946729 subject "Biomolecules Mathematical models.".
- 2012946729 subject "Computer Simulation".
- 2012946729 subject "Models, Molecular".
- 2012946729 subject "Molecular Dynamics Simulation".
- 2012946729 subject "Molecular biology Computer simulation.".
- 2012946729 subject "Molecular biology Research.".
- 2012946729 subject "Molecular dynamics Mathematical models.".
- 2012946729 subject "QP517.M65 B55 2013".
- 2012946729 tableOfContents "Ab Initio, density functional theory, and semi-empirical calculations / Mikael P. Johansson, Ville R.I. Kaila, and Dage Sundholm -- Ab Initio molecular dynamics / Kari Laasonen -- Introduction to QM/MM simulations / Gerrit Groenhof -- Computational enzymology / Alessio Lodola and Adrian J. Mulholland -- QM and QM/MM simulations of proteins / Thomas Steinbrecher and Marcus Elstner -- Classical molecular dynamics in a nutshell / Susanna Hug -- Enhanced sampling algorithms / Ayori Mitsutake, Yoshiharu Mori, and Yuko Okamoto -- Force fields for classical molecular dynamics / Luca Monticelli and D. Peter Tieleman -- Polarizable force fields / Hanne S. Antila and Emppu Salonen -- Electrostatics interactions in classical simulations / G. Andres Cisneros, Volodymyr Babin, and Celeste Sagui -- Introduction to best practices in free energy calculations / Michael R. Shirts and David L. Mobley -- Recipes for free energy calculations in biomolecular systems / Mahmoud Moradi ... [et al.] -- Molecular docking methodologies / Andrea Bortolato ... [et al.] -- Simulation studies of the mechanism of membrane transporters / Giray Enkavi ... [et al.] -- Molecular dynamics simulations of lipid bilayers : simple recipe of how to do it / Hector Martinez-Seara and Tomasz Rog -- Simulations of lipid monolayers / Svetlana Baoukina and D. Peter Tieleman -- Simulating DNA by molecular dynamics : aims, methods, and validation / Nicolas Foloppe, Marc Gueroult, and Brigitte Hartmann -- Simulation of carbohydrates, from molecular docking to dynamics in water / Nicolas Sapay, Alessandra Nurisso, and Anne Imberty -- Systematic methods for structurally consistent coarse-grained models / W.G. Noid -- Martini coarse-grained force field / Xavier Periole and Siewert-Jan Marrink -- Multiscale molecular modeling / Matej Praprotnik and Luigi Delle Site -- Coarse-grained models for protein folding and aggregation / Philippe Derreumaux -- Elastic network models : theoretical and empirical foundations / Yves-Henri Sanejouand -- Introduction to dissipative particle dynamics / Zhong-Yuan Lu and Yong-Lei Wang -- Multiscale molecular dynamics simulations of membrane proteins / Syma Khalid and Peter J. Bond -- Vesicles and vesicle fusion : coarse-grained simulations / Julian C. Shillcock.".
- 2012946729 title "Biomolecular simulations : methods and protocols / edited by Luca Monticelli, Emppu Salonen.".
- 2012946729 type "Laboratory Manuals".
- 2012946729 type "text".