Protein structure prediction methods for drug design
نویسندگان
چکیده
منابع مشابه
Protein Structure Prediction Methods for Drug Design
Along the long path from genomic data to a new drug, the knowledge of three-dimensional protein structure can be of significant help in several places. This paper points out such places, discusses the virtues of protein structure knowledge and reviews bioinformatics methods for gaining such knowledge on the protein structure.
متن کاملHomotopy Optimization Methods and Protein Structure Prediction
A central challenge in biochemistry today is the problem of predicting the tertiary (three-dimensional) structure of a protein in its native state given its amino acid sequence. According to Anfinsen’s thermodynamic hypothesis [2], the native state of a protein is the conformation in which its Gibbs free energy is at a minimum. Several empirical potential energy functions, or force fields, have...
متن کاملProtein Structure Prediction by Fusion, Bayesian Methods
Prediction of protein secondary structure (alpha-helix, beta-sheet, coil) from primary sequence of amino acids is a very challenging and difficult task, and the problem has been approached from several angles. A protein is a sequence of amino acid residues and can thus be considered as a one dimensional chain of ‘beads’ where each bead correspond to one of the 20 different amino acid residues k...
متن کاملSupervised Consensus Scoring Methods for Structure-Based Drug Design
Molecular docking is widely used to discovery novel ligands in structure-based drug design (SBDD) [1]. Over the past 15 years, various docking programs have been developed. Generally, flexible docking programs, such as DOCK, AutoDock, FlexX, GOLD and Glide, have the ability to predict protein-ligand complex structures with reasonable accuracy and speed. These docking programs are aimed at predi...
متن کاملNew methods for accurate prediction of protein secondary structure.
A primary and a secondary neural network are applied to secondary structure and structural class prediction for a database of 681 non-homologous protein chains. A new method of decoding the outputs of the secondary structure prediction network is used to produce an estimate of the probability of finding each type of secondary structure at every position in the sequence. In addition to providing...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Briefings in Bioinformatics
سال: 2000
ISSN: 1467-5463,1477-4054
DOI: 10.1093/bib/1.3.275