Chapter 5. Template-Free Predictions of Three-Dimensional Protein Structures: From First Principles to Knowledge-Based Potentials
- Janusz M. Bujnicki2,3
Published Online: 18 DEC 2008
DOI: 10.1002/9780470741894.ch5
Copyright © 2009 John Wiley & Sons, Ltd
Book Title
Prediction of Protein Structures, Functions, and Interactions
Additional Information
How to Cite
Gront, D., Latek, D., Kurcinski, M. and Kolinski, A. (2008) Template-Free Predictions of Three-Dimensional Protein Structures: From First Principles to Knowledge-Based Potentials, in Prediction of Protein Structures, Functions, and Interactions (ed J. M. Bujnicki), John Wiley & Sons, Ltd, Chichester, UK. doi: 10.1002/9780470741894.ch5
Editor Information
- 2
Laboratory of Bioinformatics and Protein Engineering, International Institute of Molecular and Cell Biology, ul. Ks. Trojdena 4, 02-109 Warsaw, Poland
- 3
Laboratory of Bioinformatics, Institute of Molecular Biology and Biotechnology, Faculty of Biology, Adam Mickiewicz University, ul. Umultowska 89, 61-614 Poznan, Poland
Publication History
- Published Online: 18 DEC 2008
- Published Print: 19 DEC 2008
ISBN Information
Print ISBN: 9780470517673
Online ISBN: 9780470741894
- Summary
- Chapter
Keywords:
- de novo protein modeling;
- force fields and scoring functions;
- quantum-mechanical computation;
- protein molecule - choice of representation;
- high resolution lattice models;
- SICHO (SIde Chain Only) model;
- residual dipolar couplings (RDC) and NOEs;
- multiple sequence alignments and solvent accessibility;
- de novo protein structure prediction
Summary
This chapter contains sections titled:
Introduction
Force Fields and Scoring Functions
Reduced Models: Representation and Conformational Sampling
Successful Approaches to de Novo Protein Modeling
Multiscale Modeling
Experimental and Predicted Restraints in Guided de Novo Modeling
Perspectives
References