عنوان

Computational chemistry methods in structural biology /

(Number (ISBN

0123864852

(Number (ISBN

9780123864857

Number

b425548

Title Proper

Computational chemistry methods in structural biology /

General Material Designation

[Book]

First Statement of Responsibility

edited by Christo Christov

Edition Statement

1st ed

Place of Publication, Distribution, etc.

Boston :

Name of Publisher, Distributor, etc.

Academic Press,

Date of Publication, Distribution, etc.

2011

Specific Material Designation and Extent of Item

vii, 351 p. :

Other Physical Details

ill. ;

Dimensions

24 cm

Series Title

Advances in protein chemistry and structural biology ;

Volume Designation

v. 85

Text of Note

Includes bibliographical references and indexes

Text of Note

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

0

Chemical models

Computational biology

Molecular structure-- Computer programs

Class number

Book number

Christov, Christo, (Senior lecturer in computational biochemistry)

Date of Transaction

20120330010138.0

Electronic name

[Book]

Y