Investigates the use of residual dipolar couplings as a probe of torsion angle dynamics in proteins. Comparison with an X-ray crystal structure; Time dependence of cross-peak intensities for residue D48 in protein-L obtained from CHD and CH[sub 2] selective experiments; Structure of the B1 ...
Results Here we describe a new approach that uses integration and analysis of torsion angle information from the Protein Data Bank to enable prediction of protein structures from amino acid sequences. Our prediction model performed well in comparison with previous methods when applied to the ...
Instead of using Cartesian coordinates for protein conformational analysis, T-Analyst is based on internal bond-angle-torsion coordinates in which internal torsion angle movements, such as side-chain rotations, can be easily detected. The program computes entropy and automatically detects and corrects ...
Predicting the backbone torsion angles corresponding to each residue of a protein from its amino acid sequence alone is a challenging problem in computational biology. Existing torsion angle predictors mainly use profile features, which are generated by
(2007) TAP score: torsion angle propensity normalization applied to local protein structure evaluation. BMC Bioinformatics, 8, 155.Tosatto SC, Battistutta R. TAP score: torsion angle propensity nor- malization applied to local protein structure evaluation. BMC Bio- informatics 2007;8:155....
Here, we proposed an autoregressive torsion angle prediction model Tora3D for molecular 3D conformer generation. Rather than directly predicting the conformations in an end-to-end way, Tora3D predicts a set of torsion angles of rotatable bonds by an interpretable autoregressive method and reconstructs...
Torsion Angle Preference and Energetics of Small-Molecule Ligands bound to Protein. J. Chem. Inf. Model, 2007, 47, 2242-2252.Ming-Hong, H.; Haq, O.; Muegge, I. Torsion Angle Preference and Energetics of Small-Molecule Ligands Bound to Proteins. J. Chem. Inf. Model. 2007, 47, 2242-...
Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algor... Shen, Y., Delaglio, F., Cornilescu, G. & Bax, A. TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR che......
Torsion Angle Dynamics for NMR Structure Calculation with the New Program DYANA The new program DYANA (DYnamics Algorithm for Nmr Applications) for efficient calculation of three-dimensional protein and nucleic acid structures from dis... P Güntert,C Mumenthaler,K Wüthrich - 《Journal of Molecular...
(1998). NMR structure calcu- lation methods for large proteins - application of torsion angle dynamics and distance geometry/ simulated annealing to the 269-residue protein ser- ine protease PB92. Mol. Phys. 95, 1099-1112.Karimi-Nejad, Y., Warren, G. L., Schipper, D., Brunger, A. T...