عنوان

Computational chemistry methods in structural biology /

0123864852

9780123864857

b425548

Computational chemistry methods in structural biology /

[Book]

edited by Christo Christov

1st ed

Boston :

Academic Press,

2011

vii, 351 p. :

ill. ;

24 cm

Advances in protein chemistry and structural biology ;

v. 85

Includes bibliographical references and indexes

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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Chemical models

Computational biology

Molecular structure-- Computer programs

Christov, Christo, (Senior lecturer in computational biochemistry)

20120330010138.0

[Book]

Y