torsion anglebayesian proceduremarkov chainprotein secondary structuretransition probabilitiesTorsion angles formed by C α atoms of four neighboring residues are predicted using a Bayesian classification procedure on nonstationary Markov chains. The predicted sequence of torsion angles is used to construct a...
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 ...
to the other end. Examples of torsion include machine axles,drive shafts, and twist drills. Torsional tests are normally performed on cylindrical solid shafts or tubes. Theshear stress τis a function of the applied torque,T, whereas the shear strain γ is related to the angle of twist ϕ...
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...
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......
autoregressive neural network predicts the torsion angles of rotatable bonds in a molecule one by one. Hence, Tora3D could consider the dependencies among each dihedral angle to avoid clashes among local structures, and the attention mechanism can explain the dependencies and ensure spatial rationality...
Determination of Multiple Torsion-Angle Constraints in U−13C,15N-Labeled Peptides: 3D 1H−15N−13C−1H Dipolar Chemical Shift NMR... Sources of and Solutions to Problems in the Refinement of Protein NMR Structures against Torsion Angle Potentials of Mean Force ...
B1 domain of protein L have been calculated from the static crystal structure by rigid body/torsion angle simulated annealing using a torsion angle database potential of mean force and compared to those deduced by Monte Carlo analysis of side chain residual dipolar couplings measured in solution. ...
astate conformation in the 0.85 Å resolution crystal structure determined[translate] achromophore phenolate oxygen whereas Thr50 donates a hydrogen bond[translate] atorsion angle about the central vinyl bond of pCA-MT- and the proteinbound[translate]...