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dmobley Jorgensen [12 articles]

最近 dmobley さんのライブラリに追加された論文の中から 著者が Jorgensen. であるものをリストアップしています. You can also see everyone's Jorgensen.
  • Optimization of Azoles as Anti-Human Immunodeficiency Virus Agents Guided by Free-Energy Calculations
    J. Am. Chem. Soc. (28 June 2008)
    by Jacob G Zeevaart, Ligong Wang, Vinay V Thakur, Cheryl S Leung, Julian Tirado-Rives, Christopher M Bailey, Robert A Domaoal, Karen S Anderson, William L Jorgensen
    posted to relative free_energy application by dmobley on 2008-07-08 17:07:03 as **
  • Antiviral drug design: computational analyses of the effects of the L100I mutation for HIV-RT on the binding of NNRTIs
    Bioorganic & Medicinal Chemistry Letters, Vol. 11, No. 21. (5 November 2001), pp. 2799-2802.
    by De-Ping Wang, Robert C Rizzo, Julian Tirado-Rives, William L Jorgensen
    posted to alchemical free_energy relative by dmobley on 2008-02-26 19:41:59 as **
  • Discovery of a Potent, Selective, and Efficacious Class of Reversible <img src="http://pubs.acs.org/images/gifchars/alpha.gif" border="0">-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Effective as Analgesics
    J. Med. Chem., Vol. 48, No. 6. (24 March 2005), pp. 1849-1856.
    by DL Boger, H Miyauchi, W Du, C Hardouin, RA Fecik, H Cheng, I Hwang, MP Hedrick, D Leung, O Acevedo, CRW Guimaraes, WL Jorgensen, BF Cravatt
    posted to binding free_energy relative by dmobley on 2008-02-26 19:29:55 as **
  • Elucidation of Fatty Acid Amide Hydrolase Inhibition by Potent &#x03B1;-Ketoheterocycle Derivatives from Monte Carlo Simulations
    J. Am. Chem. Soc., Vol. 127, No. 49. (14 December 2005), pp. 17377-17384.
    by CRW Guimaraes, DL Boger, WL Jorgensen
    posted to binding free_energy relative by dmobley on 2008-02-26 19:27:06 as **
  • Assault on Resistance: The Use of Computational Chemistry in the Development of Anti-HIV Drugs
    Current Pharmaceutical Design, Vol. 12, No. 15. (May 2006), pp. 1843-1856.
    by Marilyn B Smith, Smith, William L Jorgensen
    posted to free_energy relative resistance review by dmobley on 2008-02-26 19:13:50 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 binding free_energy by dmobley on 2008-02-26 19:10:19 as ** along with 2 people daevans superpyrin
  • From Docking False-Positive to Active Anti-HIV Agent
    J. Med. Chem., Vol. 50, No. 22. (1 November 2007), pp. 5324-5329.
    by G Barreiro, JT Kim, CRW Guimaraes, CM Bailey, RA Domaoal, L Wang, KS Anderson, WL Jorgensen
    posted to binding hiv-rt mmpbsa by dmobley on 2008-02-26 19:05:21 as **
  • Search for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase Using Chemical Similarity, Molecular Docking, and MM-GB/SA Scoring
    J. Chem. Inf. Model., Vol. 47, No. 6. (26 November 2007), pp. 2416-2428.
    by G Barreiro, CRW Guimaraes, I Tubert-Brohman, TM Lyons, J Tirado-Rives, WL Jorgensen
    posted to binding mmpbsa by dmobley on 2008-02-26 19:05:00 as **
  • Energetic effects for observed and unobserved HIV-1 reverse transcriptase mutations of residues L100, V106, and Y181 in the presence of nevirapine and efavirenz
    Bioorganic & Medicinal Chemistry Letters, Vol. 18, No. 3. (1 February 2008), pp. 969-972.
    by Kroeger, Lenea H Rader, Amanda M Franklin, Emily V Taylor, Katie D Smith, Smith, Julian Tirado-Rives, William L Jorgensen
    posted to free_energy hiv-rt relative by dmobley on 2008-02-26 19:04:35 as **
  • Validation of a Model for the Complex of HIV-1 Reverse Transcriptase with Sustiva through Computation of Resistance Profiles
    Journal of the American Chemical Society, Vol. 122, No. 51. (2000), pp. 12898-12900.
    by RC Rizzo, DP Wang, Tirado J Rives, WL Jorgensen
    posted to alchemical free_energy relative by dmobley on 2008-01-26 02:27:13 as ***
  • Computer-aided design of non-nucleoside inhibitors of HIV-1 reverse transcriptase
    Bioorg. Med. Chem. Lett., Vol. 16 (2006), pp. 663-667.
    by William L Jorgensen, Juliana R Caro, Julian T Rives, Aravind Basavapathruni, Karen S Anderson, Andrew D Hamilton
    posted to alchemical binding energy free relative bibtex-import by dmobley on 2007-10-18 23:49:36 as read
  • Efficient computation of absolute free energies of binding by computer simulations. Application to the methane dimer in water
    J. Chem. Phys., Vol. 89, No. 5. (1988), pp. 3742-3746.
    by William L Jorgensen, Kathleen J Buckner, Stephane Boudon, Julian T Rives
    posted to absolute alchemical binding energy free bibtex-import by dmobley on 2007-10-18 23:49:35 as read
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