Computational Chemistry Methods in Structural Biology

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.

1. New computational strategies for designing enzyme inhibitorsJuan Andres
2. Theoretical Investigation of enzyme-inhibitor interactionsAlessio Lodola
3. Recent advances in molecular modelling of endocrine disruptorsIvanka Tsakovska
4. Multiscale Simulation Methods for Mapping Conformational Ensembles of G-Protein Coupled ReceptorsNagarajan Vaidehi
5. Advances in implicit models of water solvent for method vof molecular dynamics and applications to study macromolecular complexes, ligand docking and pH-dependent effectsYury Vorobjev
6. Free Energy Methods for the Prediction and Analysis of Protein-Ligand Binding AffinitiesEmilio Gallicchio
7. Coarse-Grained Modelling of Protein FlexibilityModesto Orozco