Table 1. Definition of dihedral angles, the expected dihedral angle ...
biology.kenyon.edu
18/06/2013 7:23:35 AM GMT
Table 1. Definition of dihedral angles, the expected dihedral angle ... More...
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[NMR paper] Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone ?, ? and side-chain ?(1) and ?(2) dihedral angles.
Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone ?, ? and side-chain ?(1) and ?(2) dihedral angles.
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J Chem Theory Comput. 2012 Sep 11;8(9):3257-3273
Authors: Best RB, Zhu X, Shim J, Lopes PE, Mittal J, Feig M, Mackerell AD
Abstract
While the quality of the current CHARMM22/CMAP additive force field for...
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02-03-2013 10:19 AM
Dihedral angle definition for proteins
Dihedral angle definition for proteins
This webpage lists the group of atoms that are uder every side-chain dihedral angle for proteins.
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05-27-2011 10:44 PM
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J Biomol NMR. 2002 Apr;22(4):349-63
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The simultaneous interpretation of a suite of dipole-dipole and dipole-CSA cross-correlation rates involving the backbone nuclei 13Calpha, 1Halpha, 13CO, 15N and 1HN can be used to resolve the ambiguities associated with each individual...
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11-24-2010 08:49 PM
[NMR paper] HYPER: a hierarchical algorithm for automatic determination of protein dihedral-angle
HYPER: a hierarchical algorithm for automatic determination of protein dihedral-angle constraints and stereospecific C beta H2 resonance assignments from NMR data.
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A new computer program, HYPER, has been developed for automated analysis of protein dihedral angle values...
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[CNS Yahoo group] ncs definition
ncs definition
hi I am refining a protein/DNA complex. I have 4 dimers. I want to define one dimer as a NCS unit. I have labelled each molecule in the dimer with different
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Precise structural determination of weakly binding peptides by utilizing dihedral ang
Abstract Structural determination of target-bound conformations of peptides is of primary importance for the optimization of peptide ligands and peptideâ??mimetic design. In the structural determination of weakly binding ligands, transferred nuclear Overhauser effect (TrNOE) methods have been widely used. However, not many distance constraints can be obtained from small peptide ligands by TrNOE, especially for peptides bound to a target molecule in an extended conformation. Therefore, for precise structural determination of weakly binding peptides, additional structural constraints are...
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08-14-2010 04:19 AM
NOESY signals and chi2 dihedral angle
Hello out there! I have a question about the intensity of NOESY correlation signals and the chi2 dihedral angle. The more intense the NOE signals are, the closer the distance between the two nuclei, right? So, if two beta protons have close to the same NOE intensity on the NOESY, which can be described as medium intensity, what does that say about the conformation around the chi2 dihedral angle.........?