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Summer 2008
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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