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daevans nmr [18 articles]

最近 daevans さんのライブラリに追加された論文の中から タグ nmr. You can also see everyone's nmr.
  • Determination of Conformational Preferences of Dipeptides Using Vibrational Spectroscopy
    J. Phys. Chem. B (9 February 2008)
    by J Grdadolnik, S Golicgrdadolnik, F Avbelj
    posted to conformational-analysis nmr nmr_study by daevans on 2008-02-11 23:09:02 as ** along with 1 person middledomain
  • Toward More Reliable 13C and 1H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches
    J. Chem. Inf. Model. (5 December 2007)
    by YD Smurnyy, KA Blinov, TS Churanova, ME Elyashberg, AJ Williams
    posted to nmr by daevans on 2008-01-03 13:23:49 as **
  • Do active site conformations of small ligands correspond to low free-energy solution structures?
    Journal of Computer-Aided Molecular Design, Vol. 12, No. 6. (1 November 1998), pp. 563-572.
    by Michal Vieth, Jonathan D Hirst, Charles L Brooks
    posted to nmr_study conformational-analysis nmr by daevans on 2007-10-23 13:28:38 as **
  • An NMR-Based Antagonist Induced Dissociation Assay for Targeting the Ligand-Protein and Protein-Protein Interactions in Competition Binding Experiments
    J. Med. Chem., Vol. 50, No. 18. (6 September 2007), pp. 4382-4387.
    by M Krajewski, U Rothweiler, L D'Silva, S Majumdar, C Klein, TA Holak
    posted to nmr by daevans on 2007-10-05 14:06:21 as **
  • Relationship Among Ligand Conformations in Solution, in the Solid State, and at the Hsp90 Binding Site: Geldanamycin and Radicicol
    J. Am. Chem. Soc., Vol. 129, No. 11. (21 March 2007), pp. 3127-3134.
    by P Thepchatri, T Eliseo, DO Cicero, D Myles, JP Snyder
    posted to nmr by daevans on 2007-10-01 21:29:12 as **
  • Orally active thrombin inhibitors. Part 1: Optimization of the P1-moiety
    Bioorganic & Medicinal Chemistry Letters, Vol. 16, No. 10. (15 May 2006), pp. 2641-2647.
    by Helmut Mack, Dorit Baucke, Wilfried Hornberger, Udo E Lange, Werner Seitz, Wolfgang H Hoffken
    posted to nmr sbdd by daevans on 2007-08-16 09:49:25 as **
  • Accuracy vs Time Dilemma on the Prediction of NMR Chemical Shifts: A Case Study (Chloropyrimidines)
    J. Org. Chem., Vol. 71, No. 8. (14 April 2006), pp. 3103-3110.
    by M Perez, TM Peakman, A Alex, PD Higginson, JC Mitchell, MJ Snowden, I Morao
    posted to nmr by daevans on 2007-08-01 11:15:22 as **
  • Scaffold hopping in the rational design of novel HIV-1 non-nucleoside reverse transcriptase inhibitors
    Bioorganic & Medicinal Chemistry Letters, Vol. 17, No. 12. (15 June 2007), pp. 3362-3366.
    by Jeff A O'Meara, Araz Jakalian, Steven Laplante, Pierre R Bonneau, Rene Coulombe, Anne-Marie Faucher, Ingrid Guse, Serge Landry, Jennifer Racine, Bruno Simoneau, Bounkham Thavonekham, Christiane Yoakim
    posted to nmr scaffold_hopping by daevans on 2007-07-08 17:47:43 as **
  • Janocchio - a Java applet for viewing 3D structures and calculating NMR couplings and NOEs
    Magnetic Resonance in Chemistry, Vol. 45, No. 7. (2007), pp. 595-600.
    by David A Evans, Michael J Bodkin, Richard S Baker, Gary J Sharman
    posted to janocchio nmr by daevans on 2007-05-30 08:30:37 as ** along with 2 people egonw paridep
  • Conformational analysis of endomorphin-2 analogs with phenylalanine mimics by NMR and molecular modeling
    Bioorganic & Medicinal Chemistry, Vol. 15, No. 10. (15 May 2007), pp. 3539-3547.
    by Xuan Shao, Yanfeng Gao, Chuanjun Zhu, Xuehui Liu, Jinlong Yao, Yuxin Cui, Rui Wang
    posted to nmr by daevans on 2007-04-12 15:08:53 as **
  • Studies of inclusion complexes of natural and modified cyclodextrin with (+)catechin by NMR and molecular modeling
    Bioorganic & Medicinal Chemistry, Vol. 15, No. 9. (1 May 2007), pp. 3217-3224.
    by Carolina Jullian, Sebastian Miranda, Gerald Zapata-Torres, Fernando Mendizabal, Claudio Olea-Azar
    posted to nmr by daevans on 2007-04-12 14:58:52 as **
  • Optimization and determination of the absolute configuration of a series of potent inhibitors of human papillomavirus type-11 E1-E2 protein-protein interaction: A combined medicinal chemistry, NMR and computational chemistry approach
    Bioorganic & Medicinal Chemistry, Vol. 15, No. 7. (1 April 2007), pp. 2690-2700.
    by Nathalie Goudreau, Dale R Cameron, Robert Deziel, Bruno Hache, Araz Jakalian, Eric Malenfant, Julie Naud, William W Ogilvie, Jeff O'Meara, Peter W White, Christiane Yoakim
    posted to nmr by daevans on 2007-04-12 14:40:23 as **
  • Bayesian inference applied to macromolecular structure determination
    Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 72, No. 3. (2005)
    by Michael Habeck, Michael Nilges, Wolfgang Rieping
    posted to nmr by daevans on 2007-03-08 22:30:49 as **
  • Determination of conformational equilibrium of peptides in solution by NMR spectroscopy and theoretical conformational analysis: Application to the calibration of mean-field solvation models
    Peptide Science, Vol. 60, No. 2. (2001), pp. 79-95.
    by Małgorzata Groth, Joanna Malicka, Sylwia R Motowidło, Cezary Czaplewski, Lidia Klaudel, Wiesław Wiczk, Adam Liwo
    posted to conformational-analysis nmr by daevans on 2006-11-07 17:55:44 as ***
  • Contribution of Conformer Focusing to the Uncertainty in Predicting Free Energies for Protein-Ligand Binding
    J. Med. Chem., Vol. 49, No. 20. (5 October 2006), pp. 5880-5884.
    by J Tirado-Rives, WL Jorgensen
    posted to conformational-analysis nmr by daevans on 2006-09-29 13:46:46 as *** along with 2 people superpyrin dmobley
  • Stereochemical Diversity-Oriented Conformational Restriction Strategy. Development of Potent Histamine H<sub>3</sub> and/or H<sub>4</sub> Receptor Antagonists with an Imidazolylcyclopropane Structure
    J. Med. Chem., Vol. 49, No. 18. (7 September 2006), pp. 5587-5596.
    by M Watanabe, Y Kazuta, H Hayashi, S Yamada, A Matsuda, S Shuto
    posted to gpcr nmr by daevans on 2006-08-31 15:44:16 as **
  • Computer-aided determination of relative stereochemistry and 3D models of complex organic molecules from 2D NMR spectra
    Tetrahedron, Vol. 61, No. 42. (17 October 2005), pp. 9980-9989.
    by Yegor D Smurnyy, Michail E Elyashberg, Kirill A Blinov, Brent A Lefebvre, Gary E Martin, Antony J Williams
    posted to nmr by daevans on 2006-08-30 16:16:21 as ***
  • Simultaneous determination of protein structure and dynamics
    Nature, Vol. 433, No. 7022. (13 January 2005), pp. 128-132.
    by Kresten Lindorff-Larsen, Robert B Best, Mark A Depristo, Christopher M Dobson, Michele Vendruscolo
    posted to nmr by daevans on 2006-08-30 16:14:12 as *** along with 12 people and 2 groups rph karbak apaydin barry lillekatt baaden lna dgront allmensch rsantana jlh64 biehl structural_bioinformatics Bioinformatics
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