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Molekulare Mechanik (German Wikipedia)

Analysis of information sources in references of the Wikipedia article "Molekulare Mechanik" in German language version.

refsWebsite
Global rank German rank
10doi.org
2nd place
3rd place
9nih.gov
4th place
7th place
4harvard.edu
18th place
181st place

doi.org

  • Zgarbova M et al.: Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations. In: Phys. Chem. Chem. Phys. 12. Jahrgang, 2010, S. 10476–10493, doi:10.1039/C002656E, bibcode:2010PCCP...1210476Z.
  • Kuhn B, Kollman PA: Binding of a diverse set of ligands to avidin and streptavidin: an accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models. In: Journal of Medicinal Chemistry. 43. Jahrgang, Nr. 20, Oktober 2000, S. 3786–91, doi:10.1021/jm000241h, PMID 11020294.
  • Huo S, Massova I, Kollman PA: Computational alanine scanning of the 1:1 human growth hormone-receptor complex. In: J Comput Chem. 23. Jahrgang, Nr. 1, Januar 2002, S. 15–27, doi:10.1002/jcc.1153, PMID 11913381.
  • Mobley DL, Graves AP, Chodera JD, McReynolds AC, Shoichet BK, Dill KA: Predicting absolute ligand binding free energies to a simple model site. In: J Mol Biol. 371. Jahrgang, Nr. 4, August 2007, S. 1118–34, doi:10.1016/j.jmb.2007.06.002, PMID 17599350, PMC 2104542 (freier Volltext).
  • Wang J, Kang X, Kuntz ID, Kollman PA: Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA. In: Journal of Medicinal Chemistry. 48. Jahrgang, Nr. 7, April 2005, S. 2432–44, doi:10.1021/jm049606e, PMID 15801834.
  • Kollman PA, Massova I, Reyes C et al.: Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. In: Acc Chem Res. 33. Jahrgang, Nr. 12, Dezember 2000, S. 889–97, doi:10.1021/ar000033j, PMID 11123888.
  • Snow CD, Nguyen H, Pande VS, Gruebele M: Absolute comparison of simulated and experimental protein-folding dynamics. In: Nature. 420. Jahrgang, Nr. 6911, November 2002, S. 102–6, doi:10.1038/nature01160, PMID 12422224, bibcode:2002Natur.420..102S.
  • Barth P, Alber T, Harbury PB: Accurate, conformation-dependent predictions of solvent effects on protein ionization constants. In: Proc Natl Acad Sci U.S.A. 104. Jahrgang, Nr. 12, März 2007, S. 4898–903, doi:10.1073/pnas.0700188104, PMID 17360348, PMC 1829236 (freier Volltext), bibcode:2007PNAS..104.4898B.
  • Chakrabarti R, Klibanov AM, Friesner RA: Computational prediction of native protein ligand-binding and enzyme active site sequences. In: Proc Natl Acad Sci U.S.A. 102. Jahrgang, Nr. 29, Juli 2005, S. 10153–8, doi:10.1073/pnas.0504023102, PMID 15998733, PMC 1177389 (freier Volltext), bibcode:2005PNAS..10210153C.
  • Boas FE, Harbury PB: Design of Protein-Ligand Binding Based on the Molecular-Mechanics Energy Model. In: J Mol Biol. 380. Jahrgang, Nr. 2, Juli 2008, S. 415–24, doi:10.1016/j.jmb.2008.04.001, PMID 18514737, PMC 2569001 (freier Volltext).

harvard.edu

ui.adsabs.harvard.edu

nih.gov

ncbi.nlm.nih.gov

  • Kuhn B, Kollman PA: Binding of a diverse set of ligands to avidin and streptavidin: an accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models. In: Journal of Medicinal Chemistry. 43. Jahrgang, Nr. 20, Oktober 2000, S. 3786–91, doi:10.1021/jm000241h, PMID 11020294.
  • Huo S, Massova I, Kollman PA: Computational alanine scanning of the 1:1 human growth hormone-receptor complex. In: J Comput Chem. 23. Jahrgang, Nr. 1, Januar 2002, S. 15–27, doi:10.1002/jcc.1153, PMID 11913381.
  • Mobley DL, Graves AP, Chodera JD, McReynolds AC, Shoichet BK, Dill KA: Predicting absolute ligand binding free energies to a simple model site. In: J Mol Biol. 371. Jahrgang, Nr. 4, August 2007, S. 1118–34, doi:10.1016/j.jmb.2007.06.002, PMID 17599350, PMC 2104542 (freier Volltext).
  • Wang J, Kang X, Kuntz ID, Kollman PA: Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA. In: Journal of Medicinal Chemistry. 48. Jahrgang, Nr. 7, April 2005, S. 2432–44, doi:10.1021/jm049606e, PMID 15801834.
  • Kollman PA, Massova I, Reyes C et al.: Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. In: Acc Chem Res. 33. Jahrgang, Nr. 12, Dezember 2000, S. 889–97, doi:10.1021/ar000033j, PMID 11123888.
  • Snow CD, Nguyen H, Pande VS, Gruebele M: Absolute comparison of simulated and experimental protein-folding dynamics. In: Nature. 420. Jahrgang, Nr. 6911, November 2002, S. 102–6, doi:10.1038/nature01160, PMID 12422224, bibcode:2002Natur.420..102S.
  • Barth P, Alber T, Harbury PB: Accurate, conformation-dependent predictions of solvent effects on protein ionization constants. In: Proc Natl Acad Sci U.S.A. 104. Jahrgang, Nr. 12, März 2007, S. 4898–903, doi:10.1073/pnas.0700188104, PMID 17360348, PMC 1829236 (freier Volltext), bibcode:2007PNAS..104.4898B.
  • Chakrabarti R, Klibanov AM, Friesner RA: Computational prediction of native protein ligand-binding and enzyme active site sequences. In: Proc Natl Acad Sci U.S.A. 102. Jahrgang, Nr. 29, Juli 2005, S. 10153–8, doi:10.1073/pnas.0504023102, PMID 15998733, PMC 1177389 (freier Volltext), bibcode:2005PNAS..10210153C.
  • Boas FE, Harbury PB: Design of Protein-Ligand Binding Based on the Molecular-Mechanics Energy Model. In: J Mol Biol. 380. Jahrgang, Nr. 2, Juli 2008, S. 415–24, doi:10.1016/j.jmb.2008.04.001, PMID 18514737, PMC 2569001 (freier Volltext).