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  • Book
    edited by Luca Monticelli, Emppu Salonen.
    Contents:
    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 [and others]
    Molecular docking methodologies / Andrea Bortolato [and others]
    Simulation studies of the mechanism of membrane transporters / Giray Enkavi [and others]
    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.
    Digital Access Springer 2012