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– Summer 2008 Newsletters

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Selected publications from the Spring 2008 Schrödinger User Symposium

The Spring 2008 Schrödinger User Symposium featured presentations on a variety of both real-world applications and methodological developments. Below is a selected list of publications describing work that was presented at the 2008 Schrödinger User Symposium.

  • Arkin IT, Xu H, Jensen MØ, Arbely E, Bennett ER, Bowers KJ, Chow E, Dror RO, Eastwood MP, Flitman-Tene R, Gregersen BA, Klepeis JL, Kolossváry I, Shan Y, Shaw DE. "Mechanism of Na+/H+ Antiporting." Science, 2007, 317, 799-803.
  • Brewer CT, Brewer G, Butcher RJ, Carpenter EE, Schmiedekamp AM, Viragh C. "Synthesis and characterization of a spin crossover iron(ii)-iron(iii) mixed valence supramolecular pseudo-dimer exhibiting chiral recognition, hydrogen bonding, and π-π Interactions." Dalton Transactions, 2007, 3, 295-298
  • Costanzi S. "On the applicability of GPCR homology models to computer-aided drug discovery: a comparison between in silico and crystal structures of the beta2-adrenergic receptor." J. Med. Chem., 2008, 51, 2907-2914
  • Guimarães CRW, Cardozo M. "MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization." J. Chem. Inf. Model., 2008, 48, 958–970
  • Kumar RJ, Chebib M, Hibbs DE, Kim HL, Johnston GA, Salam NK, Hanrahan JR. "Novel gamma-Aminobutyric Acid rho1 Receptor Antagonists; Synthesis, Pharmacological Activity and Structure-Activity Relationships." J. Med. Chem., 2008, 51, 3825-3840
  • Podvinec M, et al. "Docking for neglected diseases as community efforts" in Computational Structural Biology: Methods and Applications, World Scientific Press, Singapore, 2008
  • Rossi KA, Weigelt CA, Nayeem A, Krystek SR Jr. "Loopholes and missing links in protein modeling." Protein Sci., 2007, 16, 1999-2012

 

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ConfGen: Accurate and efficient bioactive conformational searching for computer-aided drug design

Dr. John Shelley, ConfGen product manager

Ask the scripts expert

Dr. Woody Sherman, Director of Applications Science

Schrödinger Suite 2008 Available for Download 2008
Fall 2008 Schrödinger User Symposium scheduled to take place October 26 – 28 in London, UK
Spring 2008 Schrödinger User Symposium highlights successful applications of computational tools towards drug discovery
Upcoming Events Attended by Schrödinger representatives
Selected publications from the Spring 2008 Schrödinger User Symposium

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