(Q27860805)

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Solution conformation of a heptadecapeptide comprising the DNA binding helix F of the cyclic AMP receptor protein of Escherichia coli. Combined use of 1H nuclear magnetic resonance and restrained molecular dynamics.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Structure refinement of oligonucleotides by molecular dynamics with nuclear Overhauser effect interproton distance restraints: application to 5' d(C-G-T-A-C-G)2.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Three-dimensional structure of proteins determined by molecular dynamics with interproton distance restraints: application to crambin

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Application of molecular dynamics with interproton distance restraints to three-dimensional protein structure determination. A model study of crambin

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

The three-dimensional structure of alpha1-purothionin in solution: combined use of nuclear magnetic resonance, distance geometry and restrained molecular dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Three-dimensional structure of phoratoxin in solution: combined use of nuclear magnetic resonance, distance geometry, and restrained molecular dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Crystallographic R factor refinement by molecular dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Improving the Packing and Accuracy of NMR Structures with a Pseudopotential for the Radius of Gyration

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Direct refinement against proton-proton dipolar couplings in NMR structure determination of macromolecules

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Sources of and solutions to problems in the refinement of protein NMR structures against torsion angle potentials of mean force.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

The VMD-XPLOR visualization package for NMR structure refinement

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Improving the accuracy of NMR structures of DNA by means of a database potential of mean force describing base-base positional interactions

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Internal coordinates for molecular dynamics and minimization in structure determination and refinement.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Using conjoined rigid body/torsion angle simulated annealing to determine the relative orientation of covalently linked protein domains from dipolar couplings

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Chi(1) rotamer populations and angles of mobile surface side chains are accurately predicted by a torsion angle database potential of mean force.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

31P chemical shift anisotropy as an aid in determining nucleic acid structure in liquid crystals

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Sampling and efficiency of metric matrix distance geometry: a novel partial metrization algorithm.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Determination of three-dimensional structures of proteins from interproton distance data by hybrid distance geometry-dynamical simulated annealing calculations

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Influence of non-bonded parameters on the quality of NMR structures: a new force field for NMR structure calculation

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Determination of three-dimensional structures of proteins by simulated annealing with interproton distance restraints. Application to crambin, potato carboxypeptidase inhibitor and barley serine proteinase inhibitor 2.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Improving the quality of NMR and crystallographic protein structures by means of a conformational database potential derived from structure databases

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Pseudo-structures for the 20 common amino acids for use in studies of protein conformations by measurements of intramolecular proton-proton distance constraints with nuclear magnetic resonance

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

A calculation strategy for the structure determination of symmetric dimers by 1H NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Assessing the quality of solution nuclear magnetic resonance structures by complete cross-validation.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Automated NOESY interpretation with ambiguous distance restraints: the refined NMR solution structure of the pleckstrin homology domain from beta-spectrin

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Ambiguous NOEs and automated NOE assignment

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Direct structure refinement against residual dipolar couplings in the presence of rhombicity of unknown magnitude.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Carbonyl CSA restraints from solution NMR for protein structure refinement

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

The impact of direct refinement against three-bond HN-C alpha H coupling constants on protein structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

The use of 1JC alpha H alpha coupling constants as a probe for protein backbone conformation.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Three-dimensional solution structure of the 44 kDa ectodomain of SIV gp41

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

The impact of direct refinement against 13C alpha and 13C beta chemical shifts on protein structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Empirical correlation between protein backbone conformation and C.alpha. and C.beta. 13C nuclear magnetic resonance chemical shifts

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

The impact of direct refinement against proton chemical shifts on protein structure determination by NMR.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

A Potential Involving Multiple Proton Chemical-Shift Restraints for Nonstereospecifically Assigned Methyl and Methylene Protons

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Relaxation matrix refinement of the solution structure of squash trypsin inhibitor

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Improvements and Extensions in the Conformational Database Potential for the Refinement of NMR and X-ray Structures of Proteins and Nucleic Acids

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Structural basis for SRY-dependent 46-X,Y sex reversal: modulation of DNA bending by a naturally occurring point mutation

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Improving the accuracy of NMR structures of RNA by means of conformational database potentials of mean force as assessed by complete dipolar coupling cross-validation

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Free R value: a novel statistical quantity for assessing the accuracy of crystal structures

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Combining experimental information from crystal and solution studies: joint X-ray and NMR refinement

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin.

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

VMD: visual molecular dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

NMRPipe: a multidimensional spectral processing system based on UNIX pipes

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021

Reweighted atomic densities to represent ensembles of NMR structures

1 reference

https://api.crossref.org/works/10.1016%2FS1090-7807%2802%2900014-9

7 January 2021