Preface…
Table of Contents…
Contributing Authors…
1. Visualization and Analysis of Protein Structures with LiteMol Suite
David Sehnal, Radka Svobodová, Karel Berka, Lukáš Pravda, Adam Midlik, and Jaroslav Koca
2 Comparative Protein Structure Analysis with Bio3D-Web
Barry J. Grant, Lars Skjærven, and Xin-Qiu Yao
3 Using DALI for Protein Structure Comparison
Liisa Holm
4. Assessing Protein Function through Structural Similarities with CATH
Natalie L. Dawson, Christine Orengo, and Zoltán Gáspári
5 Protein Thermal Stability Engineering using HoTMuSiC
Fabrizio Pucci, Jean Marc Kwasigroch, and Marianne Rooman
6 Contact Area-Based Structural Analysis of Proteins and their Complexes using CAD-Score
Kliment Olechnovic, and Ceslovas Venclovas
7 A Comprehensive Computational Platform to Guide Drug Development using Graph-Based Signature Methods
Douglas E. V. Pires, Stephanie Portelli, Pâmela M. Rezende, Wandré N. P. Veloso, Joicymara S. Xavier, Malancha Karmakar, Yoochan Myung, João P. V. Linhares, Carlos H. M. Rodrigues, Michael Silk, and David B. Ascher
8 Systematic Exploration of Binding Modes of Ligands on Drug Targets
Csaba Hetényi and Mónika Bálint
9. Using MemBlob to Analyze Transmembrane Regions Based on Cryo-EM Maps
Georgina Csizmadia, Bianka Farkas, Eszter Katona, Gábor E. Tusnády, and Tamás Hegedus
10 Structural Characterization of Protein-Protein Interactions with pyDockSAXS
Brian Jiménez-García, Pau Bernadó, and Juan Fernández-Recio
11 Protein-Protein Modeling using Cryo-EM Restraints
Mikael Trellet, Gydo van Zundert, and Alexandre M.J.J. Bonvin
12 Modeling of Multimolecular Complexes
Dina Schneidman-Duhovny and Haim J. Wolfson
13 Biological Assembly Comparison with VAST+
Thomas Madej, Aron Marchler-Bauer, Christopher Lanczycki, Dachuan Zhang, and Stephen H. Bryant
14 BioMagResBank (BMRB) as a Resource for Structural Biology
Pedro R. Romero, Naohiro Kobayashi, Jonathan Wedell, Kumaran Baskaran, Takeshi Iwata, Masashi Yokochi, Dimitri Maziuk, Hongyang Yao, Toshimichi Fujiwara, Genji Kurisu, Eldon L. Ulrich, Jeffrey C. Hoch, and John L. Markley
15 Integrating Molecular Simulation and Experimental Data: A Bayesian/Maximum Entropy Reweighting Approach
Sandro Bottaro, Tone Bengtsen, and Kresten Lindorff-Larsen
16 Evaluation and Selection of Dynamic Protein Structural Ensembles with CoNSEnsX+
Dániel Dudola, Bertalan Kovács, and Zoltán Gáspári
