Below are recent publications that highlight the use or development of Schrodinger software.
Afroz Alam M, Naik P. "Molecular modelling evaluation of the cytotoxic activity of podophyllotoxin analogues." J. Comp-Aided Mol. Des. 2009, 23 (4), 209-225. http://www.springerlink.com/content/q650847r43374601/
Hall MD, Salam NK, Hellawell JL, Fales HM, Kensler CB, Ludwig JA, Szakács G, Hibbs DE, Gottesman MM. "Synthesis, Activity, and Pharmacophore Development for Isatin-β-thiosemicarbazones with Selective Activity toward Multidrug-Resistant Cells." J. Med. Chem. 2009, 52 (10), 3191-3204. http://pubs.acs.org/doi/abs/10.1021/jm800861c
Hevener KE, Zhao W, Ball DM, Babaoglu K, Qi J, White SW, Lee RE. "Validation of Molecular Docking Programs for Virtual Screening against Dihydropteroate Synthase." J. Chem. Inf. Model. 2009, 49 (2), 444-460. http://pubs.acs.org/doi/abs/10.1021/ci800293n
Lee M, Celenza G, Boggess B, Blase J, Shi Q, Toth M, Bernardo M, Wolter W, Suckow M, Hesek D, Noll B, Fridman R, Mobashery S, Chang M. "A potent gelatinase inhibitor with anti-tumor-invasive activity and its metabolic disposition." Chem. Biol. Drug Des. 2009, 73 (2), 189-202. http://www3.interscience.wiley.com/journal/121654605/abstract
Loving K, Salam N, Sherman W. "Energetic analysis of fragment docking and application to structurebased pharmacophore hypothesis generation." J. Comp-. Aided Mol. Des. 2009 ASAP. http://www.springerlink.com/content/07747281v175403g
Olsen BN, Schlesinger PH, Baker NA. "Perturbations of Membrane Structure by Cholesterol and Cholesterol Derivatives Are Determined by Sterol Orientation." J. Am. Chem. Soc. 2009, 131 (13), 4854-4865. http://pubs.acs.org/doi/abs/10.1021/ja8095224
Rossi K, Nayeem A, Weigelt C, Krystek S. "Closing the side-chain gap in protein loop modeling." J. Comp.- Aided Mol. Des. 2009, 23 (7), 411-418. http://www.springerlink.com/content/t06346225u32245m
Schneebeli ST, Hall ML, Breslow R, Friesner R. "Quantitative DFT Modeling of the Enantiomeric Excess for Dioxirane-Catalyzed Epoxidations." J. Am. Chem. Soc. 2009, 131 (11), 3965-3973. http://pubs.acs.org/doi/abs/10.1021/ja806951r
Shan Y, Seeliger M, Eastwood M, Frank F, Xu H, Jensen M, Dror R, Kuriyan J, Shaw D. "A conserved protonation-dependent switch controls drug binding in the Abl kinase." Proc. Natl. Acad. Sci. 2009, 106 (1), 139-144. http://www.pnas.org/content/106/1/139
Tan ES, Naylor JC, Groban ES, Bunzow JR, Jacobson MP, Grandy DK, Scanlan TS. "The Molecular Basis of Species-Specific Ligand Activation of Trace Amine-Associated Receptor 1 (TAAR1)." ACS Chem Biol. 2009, 4 (3), 209-220. http://pubs.acs.org/doi/abs/10.1021/cb800304d
Wang T, Friesner RA. "Computational Modeling of the Electronic Structure of Oligothiophenes with Various Side Chains." J. Phys. Chem. C. 2009, 113 (6), 2553-2561. http://pubs.acs.org/doi/abs/10.1021/jp807733e
Xing L, Kurumbail R, Frazier R, Davies M, Fujiwara H, Weinberg R, Gierse J, Caspers N, Carter J, McDonald J, Moore W, Vazquez M. "Homo-timeric structural model of human microsomal prostaglandin E synthase-1 and characterization of its substrate/inhibitor binding interactions." J. Comp.-Aided. Mol. Des. 2009, 23 (1), 13-24. http://www.springerlink.com/content/48q4487658101pn8