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Proteins|July 2, 2003
Interaction of agitoxin2, charybdotoxin, and iberiotoxin with potassium channels: selectivity between voltage-gated and Maxi-K channelsYing-Duo Gao, Maria L GarciaBiochemistry|March 3, 2004
Resiniferatoxin binds to the capsaicin receptor (TRPV1) near the extracellular side of the S4 transmembrane domainMargaret Z Chou, Tecla Mtui, Ying-Duo Gao, et al.Journal of Chemical Information and Modeling|October 28, 2010
Drug-like density: a method of quantifying the "bindability" of a protein target based on a very large set of pockets and drug-like ligands from the Protein Data BankRobert P Sheridan, Vladimir N Maiorov, M Katharine Holloway, et al.FEBS Letters|September 11, 2002
Glycine 30 in iberiotoxin is a critical determinant of its specificity for maxi-K versus K(V) channelsNathan Schroeder, Theodore J Mullmann, W A Schmalhofer, et al.Molecular Pharmacology|June 10, 2006
Functional mapping of the transient receptor potential vanilloid 1 intracellular binding siteDaniel M Johnson, Elizabeth M Garrett, Richard Rutter, et al.Journal of Chemical Information and Modeling|April 21, 2020
Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug DiscoveryXin Cindy Yan, John M Sanders, Ying-Duo Gao, et al.Journal of Computer-Aided Molecular Design|September 16, 2017
Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016Xavier Fradera, Andreas Verras, Yuan Hu, et al.Journal of Computer-Aided Molecular Design|October 8, 2017
Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effortYing-Duo Gao, Yuan Hu, Alejandro Crespo, et al.Bioorganic & Medicinal Chemistry Letters|May 16, 2007
Modeling assisted rational design of novel, potent, and selective pyrrolopyrimidine DPP-4 inhibitorsYing-Duo Gao, Dennis Feng, Robert P Sheridan, et al.Bioorganic & Medicinal Chemistry Letters|June 6, 2008
Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor designGui-Bai Liang, Xiaoxia Qian, Tesfaye Biftu, et al.Pageof 3