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Free energy computations : a mathematical perspective /
This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field i...
| Clasificación: | Libro Electrónico |
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| Autor principal: | |
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
London ; Hackensack, N.J. :
Imperial College Press,
©2010.
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| Temas: | |
| Acceso en línea: | Texto completo |
| Sumario: | This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field in physics, chemistry and molecular biology within the past few years, by making possible the analysis of complex molecular systems. This work proposes a new, general and rigorous presentation, intended both for practitioners interested in a mathematical treatment, and for applied mathematicians inte. |
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| Descripción Física: | 1 online resource (xii, 458 pages) : illustrations |
| Bibliografía: | Includes bibliographical references and index. |
| ISBN: | 9781848162488 1848162480 1283143283 9781283143288 9786613143280 6613143286 |