Computational chemistry methods in structural biology

✍ Scribed by Christo Christov (Eds.)

Year: 2011
Tongue: English
Leaves: 350
Series: Advances in Protein Chemistry and Structural Biology 85
Category: Library

No coin nor oath required. For personal study only.

✦ Table of Contents

Content:
Copyright
Page iv

Chapter 1 - Application of Computational Methods to the Design of Fatty Acid Amide Hydrolase (FAAH) Inhibitors Based on a Carbamic Template Structure
Pages 1-26
Alessio Lodola, Silvia Rivara, Marco Mor

Recent theoretical and computational advances for modeling proteinвЂ“ligand binding affinities
Pages 27-80
Emilio Gallicchio, Ronald M. Levy

Chpater 3 - Hybrid Schemes Based on Quantum Mechanics/Molecular Mechanics Simulations: Goals to Success, Problems, and Perspectives
Pages 81-142
Silvia Ferrer, Javier Ruiz-PernГa, Sergio MartГ, Vicent Moliner, IГ±aki TuГ±Гіn, Juan BertrГЎn, Juan AndrГ©s

Chapter 4 - Exploring Membrane and Protein Dynamics with Dissipative Particle Dynamics
Pages 143-182
Gernot Guigas, Diana Morozova, Matthias Weiss

Coarse-grained Representation of Protein Flexibility. Foundations, Successes, and Shortcomings
Pages 183-215
Modesto Orozco, Laura Orellana, Adam Hospital, Athi N. Naganathan, AgustГ Emperador, Oliver Carrillo, J.L. GelpГ

Chapter 6 - Recent Advances in the Molecular Modeling of Estrogen Receptor-Mediated Toxicity
Pages 217-251
Ivanka Tsakovska, Ilza Pajeva, Petko Alov, Andrew Worth

Chapter 7 - Multiscale computational methods for mapping conformational ensembles of G-protein-coupled receptors
Pages 253-280
Nagarajan Vaidehi, Supriyo Bhattacharya

Chapter 8 - Advances in Implicit Models of Water Solvent to Compute Conformational Free Energy and Molecular Dynamics of Proteins at Constant pH
Pages 281-322
Yury N. Vorobjev

Author Index
Pages 323-340

Subject Index
Pages 341-351

📜 SIMILAR VOLUMES

Algorithms and Methods in Structural Bio

📁 Algorithms and Methods in Structural Bioinformatics (Computational Biology)

✍ Nurit Haspel (editor), Filip Jagodzinski (editor), Kevin Molloy (editor) 📂 Library 📅 2022 🏛 Springer 🌐 English

The three-dimensional structure and function of molecules present many challenges and opportunities for developing an understanding of biological systems. With the increasing availability of molecular structures and the advancing accuracy of structure predictions and molecular simulations, the

Computational Chemistry Methodology in S

📁 Computational Chemistry Methodology in Structural Biology and Materials Sciences

✍ Tanmoy Chakraborty, Prabhat Ranjan, Anand Pandey 📂 Library 📅 2018 🏛 Apple Academic Press 🌐 English

Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry

Computational Structural Biology: Method

📁 Computational Structural Biology: Methods and Applications

✍ Torsten Schwede, Torsten Schwede, Manuel C. Peitsch 📂 Library 📅 2008 🏛 World Scientific Publishing Company 🌐 English

Computational structural biology has made tremendous progress over the last two decades, and this book provides a recent and broad overview of such computational methods in structural biology. It covers the impact of computational structural biology on protein structure prediction methods, macromole

Computational Structural Biology: Method

📁 Computational Structural Biology: Methods and Applications

✍ Torsten Schwede 📂 Library 📅 2008 🏛 World Scientific Publishing Company 🌐 English

Structure Prediction Methods: Protein Fold Recognition and Threading (L McGuffin); Assessment of Protein Structure Predictions (E Capriotti & M A Marti-Renom); From Structure to Function to Design: Evolution of Protein Folds (A Lupas & K Koretke); Molecular Modeling of Enzyme Reactions and Transiti

Advanced Methods in Structural Biology

📁 Advanced Methods in Structural Biology

✍ Toshiya Senda, Katsumi Maenaka (eds.) 📂 Library 📅 2016 🏛 Springer Japan 🌐 English

This book provides practical information on a whole set of protein experiments for advanced structural biology, such as X-ray crystallography, NMR, electron microscopy, advanced mass spectroscopy, and surface plasmon resonance, as well as a wide variety of expression systems including eukaryot

Structural methods in inorganic chemistr

📁 Structural methods in inorganic chemistry

✍ E. A. V Ebsworth 📂 Library 📅 1987 🏛 Blackwell Scientific Publications 🌐 English