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" Computational chemistry methods in structural biology / "
edited by Christo Christov
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BL
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| Record Number
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596329
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| Doc. No
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b425548
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| Title & Author
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Computational chemistry methods in structural biology /\ edited by Christo Christov
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| Edition Statement
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1st ed
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| Publication Statement
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Amsterdam ;Boston :: Academic Press,, 2011
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| Series Statement
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Advances in protein chemistry and structural biology ;; v. 85
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| Page. NO
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vii, 351 p. :: ill. ;; 24 cm
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| ISBN
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9780123864857
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: 0123864852
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| Bibliographies/Indexes
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Includes bibliographical references and indexes
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| Contents
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Application of computational methods to the design of fatty acid amide hydrolase (FAAH) inhibitors based on a carbamic template structure / Alessio Lodola, Silvia Rivara, and Marco Mor -- Recent theoretical and computational advances for modeling protein-ligand binding affinities / Emilio Gallicchio and Ronald M. Levy -- Hybrid schemes based on quantum mechanics/molecular mechanics simulations: goals to success, problems, and perspectives / Silvia Ferrer, Javier Ruiz-Pernía, Sergio Martí, Vicent Moliner, Iñaki Tuñón, Juan Bertrán, and Juan Andrés -- Exploring membrane and protein dynamics with dissipative particle dynamics / Gernot Guigas, Diana Morozova, and Matthias Weiss -- Coarse-grained representation of protein flexibility: foundations, successes, and shortcomings / Modesto Orozco, Laura Orellana, Adam Hospital, Athi N. Naganathan, Agustí Emperador, oliver Carrillo, and J. L. Gelpí -- Recent advances in the molecular modeling of estrogen receptor-mediated toxicity / Ivanka Tsakovska, Ilza Pajeva, Petko Alov, and Andrew Worth -- Multiscale computational methods for mapping conformational ensembles of G-protein-coupled receptors / Nagarjan Vaidehi and Supriyo Bhattacharya -- Advances in implicit models of water solvent to compute conformational free energy and molecular dynamics of proteins at constant pH / Yury N. Borobjev
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| Subject
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Chemical models
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| Subject
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Molecular structure-- Computer programs
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| Subject
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Computational biology
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| LC Classification
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QD431.A3
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| Added Entry
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Christov, Christo, (Senior lecturer in computational biochemistry)
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