Computational chemistry methods in structural biology /

• Άλλοι συγγραφείς: Christov, Christo I.
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Amsterdam : Elsevier Academic Press, 2011.
• Σειρά: Advances in protein chemistry and structural biology ; v. 85.
• Θέματα: Chemical models.; Molecular structure > Computer programs.; SCIENCE > Chemistry > Clinical.; Electronic books.

 Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology serial has been a continuous, essential resource for protein chemists. Covering reviews of methodology and research in all aspects of protein chemistry, including purification/expression, proteomics, modeling and structural determination and design, each volume brings forth new information about protocols and analysis of proteins while presenting the most recent findings from leading experts in a broad range of protein-related topics. This volume features articles on Computational Chemistry methods in Structural Biology. Essential resource for protein chemists. This volume features articles on Computational Chemistry methods in Structural Biology. 

 Application of computational methods to the design of fatty acid amide hydrolase (FAAH) inhibitors based on a carbamic template structure -- Recent theoretical and computational advances for modeling protein-ligand binding affinities -- Hybrid schemes based on quantum mechanics/molecular mechanics simulations: goals to success, problems, and perspectives -- Exploring membrane and protein dynamics with dissipative particle dynamics -- Coarse-grained representation of protein flexibility: foundations, successes, and shortcomings -- Recent advances in the molecular modeling of estrogen receptor-mediated toxicity -- Multiscale computational methods for mapping conformational ensembles of G-protein-coupled receptors -- Advances in implicit models of water solvent to compute conformational free energy and molecular dynamics of proteins at constant pH.