Ambiguous distance data in the calculation of NMR structures

Brünger, 1993, Computational challenges for macromolecular structure determination by X-ray crystallography and solution NMR spectroscopy, Quart. Rev. Biophys, 26, 49, 10.1017/S0033583500003966

Kuntz, 1989, Distance geometry, Methods. Enzymol, 177, 159, 10.1016/0076-6879(89)77011-7

Havel, 1991, An evaluation of computational strategies for use in the determination of protein-structure from distance constraints obtained by nuclear magnetic resonance, Prog. Biophys. Mol. Biol, 56, 43, 10.1016/0079-6107(91)90007-F

Braun, 1987, Distance geometry and related methods for protein structure determination from NMR data, Quart. Rev. Biophys, 19, 115, 10.1017/S0033583500004108

Güntert, 1991, Improved efficiency of protein structure calculations from NMR data using the program DIANA with redundant dihedral angle constraints, J. Biomol. NMR, 1, 447, 10.1007/BF02192866

Levitt, 1983, Protein folding by restrained energy minimization and molecular dynamics, J. Mol. Biol, 170, 723, 10.1016/S0022-2836(83)80129-6

Kaptein, 1985, A protein structure from nuclear magnetic resonance data. Lac repressor headpiece, J. Mol. Biol, 182, 179, 10.1016/0022-2836(85)90036-1

Clore, 1985, The solution conformation of a heptadecapetide 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, J. Mol. Biol, 186, 435, 10.1016/0022-2836(85)90116-0

Brünger, 1986, Three-dimensional structure of proteins determined by molecular dynamics with interproton distance restraints: application to crambin, Proc. Natl Acad. Sci. USA, 83, 3801, 10.1073/pnas.83.11.3801

Nilges, 1988, Determination of three-dimensional structures of proteins by hybrid distance geometry-dynamical simulated annealing calculations, FEBS Lett, 229, 317, 10.1016/0014-5793(88)81148-7

Nilges, 1988, 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, Protein Eng, 2, 27, 10.1093/protein/2.1.27

Nilges, 1988, Determination of three-dimensional structures of proteins from interproton distance data by dynamical simulated annealing from a random array of atoms: avoiding problems associated with folding, FEBS Lett, 239, 129, 10.1016/0014-5793(88)80559-3

Nilges, 1991, Sampling properties of simulated annealing and distance geometry, 451

Brünger, 1992

Herzyk, 1993, A reduced representation of proteins for use in restraint satisfaction calculations, Proteins, 17, 310, 10.1002/prot.340170308

Hoch, 1992, A method for determining overall protein fold from NMR distance restraints, J. Biomol. NMR, 2, 535, 10.1007/BF02192843

Nilges, 1993, A calculation strategy for the structure determination of symmetric dimers by 1H NMR, Proteins, 17, 297, 10.1002/prot.340170307

Nilges, 1995, Calculation of protein structures with ambiguous distance restraints. Automated assignment of ambiguous NOE crosspeaks and disulphide connectivities, J. Mol. Biol, 245, 645, 10.1006/jmbi.1994.0053

Van Schaik, 1993, A structure refinement method based on molecular dynamics in four spatial dimensions, J. Mol. Biol, 234, 751, 10.1006/jmbi.1993.1624

Nakai, 1993, Intrinsic nature of the three-dimensional structure of proteins as determined by distance geometry with good sampling properties, J. Biomol. NMR, 3, 19, 10.1007/BF00242473

Rice, 1994, Torsion angle dynamics: reduced variable conformational sampling enhances crystallographic structure refinement, Proteins, 19, 277, 10.1002/prot.340190403

Stein, 1997, Torsion angle molecular dynamics as a new efficient tool for NMR structure calculation, J. Magn. Reson, 124, 154, 10.1006/jmre.1996.1027

Mumenthaler, 1996, Automated assignment of simulated and experimental NOESY spectra of proteins by feedback filtering and self-correcting distance geometry, J. Mol. Biol, 254, 465, 10.1006/jmbi.1995.0631

Güntert, 1993, The program ASNO for computer-supported collection of NOE upper distance constraints as input for protein structure determination, J. Biomol. NMR, 3, 601, 10.1007/BF00174613

Meadows, 1994, A computer-based protocol for semiautomated assignments and 3D structure determination of proteins, J. Biomol. NMR, 4, 79, 10.1007/BF00178337

Malliavin, 1992, Approche directe de la détermination de structures moléculaires à partir de l’effet Overhauser nucléaire, C.R. Acad. Sci. Paris, 315, 653

Oshiro, 1993, Application of distance geometry to the proton assignment problem, Biopolymers, 33, 107, 10.1002/bip.360330110

Kraulis, 1994, Protein three-dimensional structure determination and sequence specific assignment of 13C and 15N separated NOE data: a novel real space ab initio approach, J. Mol. Biol, 243, 696, 10.1016/0022-2836(94)90042-6

Nilges, 1991, Relaxation matrix refinement of the solution structure of squash trypsin inhibitor, J. Mol. Biol, 219, 499, 10.1016/0022-2836(91)90189-D

Kharrat, 1995, Structure of the dsRNA binding domain of E. coli RNase III, EMBO J, 14, 3572, 10.1002/j.1460-2075.1995.tb07363.x

Nilges, 1991, Automated assignment of ambiguous crosspeaks in symmetric dimers, J. Cell. Biochem, 15G, 422

Folkers, 1994, The solution structure of the Tyr41→His mutant of the single-stranded DNA binding protein encoded by gene V of the filamentous bacteriophage M13, J. Mol. Biol, 236, 229, 10.1006/jmbi.1994.1132

Lee, 1994, Solution structure of the tetrameric minimum transforming domain of p53, Nat. Struct. Biol, 1, 877, 10.1038/nsb1294-877

Xu, 1995, Solution structure of a cellulose-binding domain from cellulomonas fimi by nuclear magnetic resonance spectroscopy, Biochemistry, 34, 6993, 10.1021/bi00021a011

Folmer, 1995, A model of the complex between single-stranded DNA and the single-stranded DNA binding protein encoded by gene V of filamentous bacteriophage M13, J. Mol. Biol, 240, 341, 10.1006/jmbi.1994.1449

Folmer, 1995, Solution structure of the single-stranded DNA binding protein of bacteriophage Pf3, EMBO J, 14, 4132, 10.1002/j.1460-2075.1995.tb00087.x

Arrowsmith, 1990, Sequence-specific 1H NMR assignments and secondary structure in solution of escherichia coli trp repressor, Biochemistry, 29, 6332, 10.1021/bi00479a002

Weiss, 1990, Distinguishing symmetry-related intramolecular and intermolecular nuclear overhauser effects in a protein by asymmetric isotopic labelling, J. Magn. Reson, 86, 626

Folkers, 1993, Overcoming the ambiguity problem encountered in the analysis of nuclear magnetic resonance spectra of symmetric dimer proteins, J. Am. Chem. Soc, 115, 3798, 10.1021/ja00062a065

O’Donoghue, 1996, Calculation of symmetric multimer structures from NMR data using a priori knowledge of the monomer structure, co-monomer restraints, and interface mapping: the case of leucine zippers, J. Biomol. NMR, 8, 193

Haenggi, 1994, Pattern recognition and self-correcting distance geometry calculations applied to myohemerythrin, FEBS Lett, 344, 147, 10.1016/0014-5793(94)00366-1

Nilges, 1997, Automated NOESY interpretation with ambiguous distance restraints: the refined NMR solution structure of the pleckstrin homology domain from β-spectrin, J. Mol. Biol, 269, 408, 10.1006/jmbi.1997.1044

Musco, 1996, Three-dimensional structure and stability of the KH domain: molecular insights into the fragile X syndrome, Cell, 85, 237, 10.1016/S0092-8674(00)81100-9

Hyvönen, 1995, Structure of the binding site for inositol phosphates in a PH domain, EMBO J, 14, 4676, 10.1002/j.1460-2075.1995.tb00149.x

Vriend, 1993, Quality control of protein models: directional atomic contact analysis, J. Appl. Crystallogr, 26, 47, 10.1107/S0021889892008240

Morris, 1992, Stereochemical quality of protein structure co-ordinates, Proteins, 12, 345, 10.1002/prot.340120407

Sippl, 1993, Recognition of errors in three-dimensional structures of proteins, Proteins, 17, 355, 10.1002/prot.340170404

Blaney, 1991, A distance geometry-based approach for docking conformationally flexible molecules from 2D or 3D-chemical databases, Abstracts of Papers of the American Chemical Society, Fourth Chemical Congress of North America., 202, 28

Brünger, 1987, Crystallographic R factor refinement by molecular dynamics, Science, 235, 458, 10.1126/science.235.4787.458