Crossref journal-article
Elsevier BV
Current Opinion in Structural Biology (78)
Bibliography

Moult, J. (1997). Comparison of database potentials and molecular mechanics force fields. Current Opinion in Structural Biology, 7(2), 194–199.

Authors 1
  1. John Moult (first)
References 44 Referenced 101
  1. 10.1016/S0065-3233(08)60460-X / Adv Prot Chem / Stability of proteins by Privalov (1979)
  2. 10.1006/jmbi.1993.1417 / J Mol Biol / Contribution of hydration to protein folding thermodynamics. II. The entropy and Gibbs free energy of hydration by Privalov (1993)
  3. 10.1073/pnas.90.2.439 / Proc Natl Acad Sci USA / Protein folding — what is the question? by Lattman (1993)
  4. {'year': '1987', 'author': 'McCammon', 'key': '10.1016/S0959-440X(97)80025-5_BIB4'} by McCammon (1987)
  5. 10.1016/0959-440X(95)80077-8 / Curr Opin Struct Biol / Potential energy functions by Halgren (1995)
  6. {'key': '10.1016/S0959-440X(97)80025-5_BIB6_1', 'first-page': '5179', 'article-title': 'A second generation force field for the simulation of proteins, nucleic acids and organic molecules', 'volume': '117', 'author': 'Cornell', 'year': '1995', 'journal-title': 'Biochemistry'} / Biochemistry / A second generation force field for the simulation of proteins, nucleic acids and organic molecules by Cornell (1995)
  7. 10.1002/jcc.540040211 / J Comp Chem / CHARMm: a program for macromolecular energy, minimization, and dynamics calculations by Brooks (1983)
  8. 10.1002/prot.340040106 / Proteins / Structure and energetics of ligand binding to proteins: Eschericha coli dihydroflolate reductase-trimethoprim, a drug—receptor system by Dauber-Osguthorpe (1988)
  9. 10.1080/07391102.1989.10508503 / J Biomol Struct Dyn / A comparison of CHARMm, AMBER and ECEPP potentials for peptides. II. f—c maps of N-acetylalanine N'-methylamide: comparisons, contrasts and simple experimental tests by Roterman (1989)
  10. 10.1021/bi00067a004 / Biochemistry / Molecular dynamics simulations of the unfolding of apomyoglobin in water by Tirado-Rives (1993)
  11. {'year': '1996', 'author': 'Van Gunsteren', 'key': '10.1016/S0959-440X(97)80025-5_BIB11_1'} by Van Gunsteren (1996)
  12. {'key': '10.1016/S0959-440X(97)80025-5_BIB12_1', 'article-title': 'Empirical classical interactions functions for molecular simulation', 'volume': 'III', 'author': 'Hünenberger', 'year': '1997'} / Empirical classical interactions functions for molecular simulation by Hünenberger (1997)
  13. 10.1002/jcc.540160702 / J Comput Chem / Accurate modeling of intramolecular electrostatic energy of proteins by Dudek (1995)
  14. 10.1002/jcc.540160904 / J Comp Chem / Molecular dynamics simulation with a continuum electrostatic model of the solvent by Gilson (1995)
  15. 10.1006/jmbi.1996.0139 / J Mol Biol / An efficient mean solvation force model for use in molecular dynamics simulations of proteins in aqueous solution by Fraternali (1996)
  16. 10.1006/jmbi.1995.0374 / J Mol Biol / Structure, dynamics and energetics of initiation sites in protein folding: I. Analysis of a 1 ns molecular dynamics trajectory of an early folding unit in water: the helix I/loop-I fragment of barnase by Braxenthaler (1995)
  17. 10.1073/pnas.90.19.8920 / Proc Natl Acad Sci USA / On achieving better than 1 angstrom accuracy in a simulation of a large protein — Streptomyces griseus protease A by Kitson (1993)
  18. 10.1002/prot.340230107 / Proteins / Structure and internal dynamics of the bovine pancreatic trypsin inhibitor in aqueous solution from long-time molecular dynamics simulations by Brunne (1995)
  19. 10.1002/(SICI)1097-0134(199607)25:3<315::AID-PROT4>3.0.CO;2-E / Proteins / The application of different solvation and electrostatic models in molecular dynamics simulations of ubiquitin: how well is the X-ray structure maintained? by Fox (1996)
  20. 10.1021/bi00030a005 / Biochemistry / Molecular dynamics of cytochrome b5: implications for protein—protein recognition by Storch (1995)
  21. 10.1006/jmbi.1995.0514 / J Mol Biol / Fluctuation and cross-correlation analysis of protein motions observed in nanosecond molecular dynamics simulations by Hünenberger (1995)
  22. 10.1021/bi00034a026 / Biochemistry / Comparison of MD simulations and NMR experiments for hen lysozyme. Analysis of local fluctuations, cooperative motions and global changes by Smith (1995)
  23. 10.1016/0022-2836(84)90049-4 / J Mol Biol / An analysis of incorrectly folded protein models. Implications for structure predictions by Novotny (1984)
  24. 10.1002/prot.340040105 / Proteins / Criteria that discriminate between native proteins and incorrectly folded proteins by Novotny (1988)
  25. 10.1073/pnas.92.3.709 / Proc Natl Acad Sci USA / Discriminating compact non-native structures from the native structure of globular protein by Wang (1995)
  26. 10.1006/jmbi.1995.0502 / J Mol Biol / Free energy determinants of secondary structure formation I. Alpha-helices by Yang (1995)
  27. 10.1006/jmbi.1995.0503 / J Mol Biol / Free energy determinants of secondary structure formation II. Anti-parallel beta sheets by Yang (1995)
  28. 10.1006/jmbi.1996.0364 / J Mol Biol / Free energy determinants of secondary structure formation III. Beta-turns and their role in protein folding by Yang (1996)
  29. 10.1021/j100058a043 / J Phys Chem / Accurate calculation of hydration free energies using macroscopic solvent models by Sitkoff (1994)
  30. 10.1016/S0959-440X(96)80075-3 / Curr Opin Struct Biol / Structure-derived potentials and protein simulations by Jernigan (1996)
  31. 10.1006/jmbi.1996.0114 / J Mol Biol / Residue—residue potentials with a favorable contact pair term and an unfavorable high packing density term, for simulation and threading by Miyazawa (1996)
  32. 10.1006/jmbi.1996.0758 / J Mol Biol / Inter-residue potentials in globular proteins: dominance of highly specific hydrophilic interactions at close separation by Bahar (1997)
  33. 10.1016/S0959-440X(96)80076-5 / Curr Opin Struct Biol / Potential energy functions for threading by Jones (1996)
  34. 10.1002/prot.340230308 / Proteins / Protein structure prediction by threading methods: evaluation of current techniques by Lemer (1995)
  35. Second meeting on the critical assessment of techniques fro protein structure prediction on World Wide Web URL: http://ins4.carb.nist.gov/casp2/ of special interest; Access to new results of objective tests of threading methods.
  36. 10.1002/prot.340170404 / Proteins / Recognition of errors in three-dimensional structures of proteins by Sippl (1993)
  37. 10.1038/356083a0 / Nature / Assessment of protein models with three-dimensional profiles by Luthy (1992)
  38. {'key': '10.1016/S0959-440X(97)80025-5_BIB38', 'first-page': '218', 'article-title': 'A knowledge-based method for protein structure refinement and prediction', 'author': 'Subramaniam', 'year': '1996'} / A knowledge-based method for protein structure refinement and prediction by Subramaniam (1996)
  39. 10.1016/S1359-0278(96)00042-9 / Fold Des / Helmholtz free energies of atom pair interactions in proteins by Sippl (1996)
  40. {'year': '1976', 'author': 'McQuarrie', 'key': '10.1016/S0959-440X(97)80025-5_BIB40'} by McQuarrie (1976)
  41. 10.1006/jmbi.1996.0175 / J Mol Biol / Statistical potentials extracted from protein structures: how accurate are they? by Thomas (1996)
  42. 10.1073/pnas.87.2.638 / Proc Natl Acad Sci USA / Theory of protein mutability and biogenesis by Lau (1990)
  43. 10.1002/(SICI)1097-0134(199610)26:2<172::AID-PROT7>3.0.CO;2-I / Proteins / Evaluation of threading specificity and accuracy by Bryant (1996)
  44. Prostar—the protein potential site on World Wide Web URL: http://prostar.carb.nist.gov
Dates
Type When
Created 23 years, 1 month ago (July 25, 2002, 2:37 a.m.)
Deposited 6 years, 4 months ago (May 2, 2019, 11:25 a.m.)
Indexed 2 months, 1 week ago (June 26, 2025, 9:28 a.m.)
Issued 28 years, 5 months ago (April 1, 1997)
Published 28 years, 5 months ago (April 1, 1997)
Published Print 28 years, 5 months ago (April 1, 1997)
Funders 0

None

@article{Moult_1997, title={Comparison of database potentials and molecular mechanics force fields}, volume={7}, ISSN={0959-440X}, url={http://dx.doi.org/10.1016/s0959-440x(97)80025-5}, DOI={10.1016/s0959-440x(97)80025-5}, number={2}, journal={Current Opinion in Structural Biology}, publisher={Elsevier BV}, author={Moult, John}, year={1997}, month=apr, pages={194–199} }