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...

Πίνακας περιεχομένων:

• 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.