{"product_id":"biomolecular-simulations-luca-monticelli-9781627030168","title":"Biomolecular Simulations: Methods and Protocols","description":"\u003cp\u003ePart I: Quantum Mechanics Calculations\u003c\/p\u003e\u003cp\u003e1. \u003ci\u003eAb initio\u003c\/i\u003e, Density Functional Theory, and Semi-empirical Calculations\u003c\/p\u003e\u003cp\u003eMikael P. Johansson, Ville R. I. Kaila and Dage Sundholm\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e2. Ab initio Molecular Dynamics\u003c\/p\u003e\u003cp\u003eKari Laasonen\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e3. Introduction to QM\/MM simulations\u003c\/p\u003e\u003cp\u003eGerrit Groenhof\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e4. Computational Enzymology\u003c\/p\u003e\u003cp\u003eAlessio Lodola and Adrian J. Mulholland\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e5. QM and QM\/MM Simulations of Proteins\u003c\/p\u003e\u003cp\u003eThomas Steinbrecher and Marcus Elstner\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003ePart II: Classical Mechanics: Atomistic Simulations \u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e6. Classical Molecular Dynamics in a Nutshell\u003c\/p\u003e\u003cp\u003eSusanna Hug\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e7. Enhanced Sampling Algorithms\u003c\/p\u003e\u003cp\u003eAyori Mitsutake, \u003ci\u003e \u003c\/i\u003eYoshiharu Mori, \u003ci\u003e \u003c\/i\u003eand Yuko Okamoto\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e8. Force Fields for Classical Molecular Dynamics\u003c\/p\u003e\u003cp\u003eLuca Monticelli and D. Peter Tieleman\u003c\/p\u003e\u003cp\u003e\u003ci\u003e \u003c\/i\u003e\u003c\/p\u003e\u003cp\u003e9. Polarizable Force Fields\u003c\/p\u003e\u003cp\u003eHanne S. Antila and Emppu Salonen\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e10. Electrostatics interactions in classical simulations\u003c\/p\u003e\u003cp\u003eG. Andr駸 Cisneros, Volodymyr Babin, and Celeste Sagui\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e11. An Introduction to Best Practices in Free Energy\u003c\/p\u003e\u003cp\u003eCalculations\u003c\/p\u003e\u003cp\u003eMichael R. Shirts and David L. Mobley\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e12. Recipes for Free Energy Calculations in Biomolecular Systems\u003c\/p\u003e\u003cp\u003eMahmoud Moradi, Volodymyr Babin, Celeste Sagui, and Christopher Roland\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e13. Molecular Docking Methodologies\u003c\/p\u003e\u003cp\u003eAndrea Bortolato, Marco Fanton, Jonathan S. Mason and Stefano Moro\u003c\/p\u003e\u003cp\u003e\u003csup\u003e \u003c\/sup\u003e\u003c\/p\u003e\u003cp\u003e14. Simulation Studies of the Mechanism of Membrane Transporters\u003c\/p\u003e\u003cp\u003eGiray Enkavi, Jing Li, Paween Mahinthichaichan, Po-Chao Wen, Zhijian Huang, Saher A. Shaikh and Emad Tajkhorshid\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e15. Molecular Dynamics Simulations of Lipid Bilayers: Simple Recipe of How to Do It\u003c\/p\u003e\u003cp\u003eHector Martinez-Seara and Tomasz R\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e16. Simulations of Lipid Monolayers\u003c\/p\u003e\u003cp\u003eSvetlana Baoukina and D. Peter Tieleman\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e17. Simulating DNA by Molecular Dynamics: Aims, Methods, and Validation\u003c\/p\u003e\u003cp\u003eNicolas Foloppe, Marc Gu駻oult and Brigitte Hartmann \u003c\/p\u003e\u003cp\u003e\u003csup\u003e \u003c\/sup\u003e\u003c\/p\u003e\u003cp\u003e18. Simulation of Carbohydrates, From Molecular Docking to Dynamics in Water\u003c\/p\u003e\u003cp\u003eNicolas Sapay, Alessandra Nurisso and Anne Imberty\u003csup\u003e \u003c\/sup\u003e\u003csup\u003e \u003c\/sup\u003e\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003ePart III: Mesoscopic Simulations and Coarse-grained Models \u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e19. Systematic Methods for Structurally Consistent Coarse-grained\u003c\/p\u003e\u003cp\u003eModels\u003c\/p\u003e\u003cp\u003eW. G. Noid\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e20. The Martini Coarse-Grained Force Field\u003c\/p\u003e\u003cp\u003eSiewert-Jan Marrink \u0026amp; Xavier Periole\u003c\/p\u003e\u003cp\u003e\u003ci\u003e \u003c\/i\u003e\u003c\/p\u003e\u003cp\u003e21. Multiscale Molecular Modeling\u003c\/p\u003e\u003cp\u003eMatej Praprotnik and Luigi Delle Site\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e22. Coarse-grained Models for Protein Folding and Aggregation\u003c\/p\u003e\u003cp\u003ePhilippe Derreumaux \u003c\/p\u003e \u003cp\u003e23. Elastic Network Models: Theoretical and Empirical Foundations\u003c\/p\u003e\u003cp\u003eYves-Henri Sanejouand\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e24. An Introduction to Dissipative Particle Dynamics\u003c\/p\u003e\u003cp\u003eZhong-Yuan Lu, Yong-Lei Wang\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e25. Multiscale Molecular Dynamics Simulations of Membrane Proteins\u003c\/p\u003e\u003cp\u003eSyma Khalid\u003csup\u003e \u003c\/sup\u003e and Peter J Bond \u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e\u003cp\u003e26. Vesicles and Vesicle Fusion: Coarse-grained Simulations\u003c\/p\u003e\u003cp\u003eJulian C Shillcock\u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e\u003cp\u003e \u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e Luca Monticelli\u003cbr\u003e\u003cb\u003eISBN-10:\u003c\/b\u003e 1627030166\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9781627030168\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e Humana\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 10\/04\/2012\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 702\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Hardcover\u003cbr\u003e\u003cb\u003eWeight:\u003c\/b\u003e 3.00lbs\u003cbr\u003e\u003cb\u003eSize:\u003c\/b\u003e 10.00h x 7.10w x 1.80d","brand":"Luca Monticelli","offers":[{"title":"Hardcover","offer_id":44125087269119,"sku":"9781627030168","price":219.99,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_aa161e60-1fcc-4c5a-80e8-3a00b75486f6.jpg?v=1687440567","url":"https:\/\/www.whiterainbookhouse.com\/products\/biomolecular-simulations-luca-monticelli-9781627030168","provider":"WR Book House","version":"1.0","type":"link"}