Model of P‑Glycoprotein Ligand Binding and Validation with Efflux Substrate Matched Pairs von Conrad, Jay, Paras, Nick A., Vaz, Roy J.

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Molecular determinants of loperamide and N-desmethyl loperamide binding in the hERG cardiac K+ channel von Vaz, Roy J., Kang, Jiesheng, Luo, Yongyi, Rampe, David

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Decreasing the CYP2D6 contribution to metabolism of a CK1ε inhibitor von Vaz, Roy J., Li, Yi, Metz, Markus, Yang, Donglai, Shen, Hong, Munson, Mark

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Selectivity in the Addition of Electron Deficient Radicals to the C 2 Position of Indoles von Li, Yi, Vaz, Roy J, Olson, Steven H, Munson, Mark, Paras, Nick A, Conrad, Jay

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A crowdsourcing evaluation of the NIH chemical probes von Oprea, Tudor I, Sklar, Larry A, Bologa, Cristian G, Boyer, Scott, Curpan, Ramona F, Glen, Robert C, Hopkins, Andrew L, Lipinski, Christopher A, Marshall, Garland R, Martin, Yvonne C, Ostopovici-Halip, Liliana, Rishton, Gilbert, Ursu, Oleg, Vaz, Roy J, Waller, Chris, Waldmann, Herbert

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Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches von Pearlstein, Robert A, Vaz, Roy J, Kang, Jiesheng, Chen, Xiao-Liang, Preobrazhenskaya, Maria, Shchekotikhin, Andrey E, Korolev, Alexander M, Lysenkova, Ludmila N, Miroshnikova, Olga V, Hendrix, James, Rampe, David

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Discovery of 4‑Piperazine Isoquinoline Derivatives as Potent and Brain-Permeable Tau Prion Inhibitors with CDK8 Activity von Grandjean, Jean-Marc M, Jiu, Alexander Y, West, John W, Aoyagi, Atsushi, Droege, Daniel G, Elepano, Manuel, Hirasawa, Makoto, Hirouchi, Masakazu, Murakami, Ryo, Lee, Joanne, Sasaki, Koji, Hirano, Shimpei, Ohyama, Takao, Tang, Benjamin C, Vaz, Roy J, Inoue, Masahiro, Olson, Steven H, Prusiner, Stanley B, Conrad, Jay, Paras, Nick A

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Specificity for a CCR5 Inhibitor Is Conferred by a Single Amino Acid Residue von Lau, Gloria, Labrecque, Jean, Metz, Markus, Vaz, Roy, Fricker, Simon P.

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Predictive models for hERG potassium channel blockers von Cianchetta, Giovanni, Li, Yi, Kang, Jiesheng, Rampe, David, Fravolini, Arnaldo, Cruciani, Gabriele, Vaz, Roy J.

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A Pharmacophore Hypothesis for P-Glycoprotein Substrate Recognition Using GRIND-Based 3D-QSAR von Cianchetta, Giovanni, Singleton, Robert W, Zhang, Meng, Wildgoose, Marianne, Giesing, Dennis, Fravolini, Arnaldo, Cruciani, Gabriele, Vaz, Roy J

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Antitargets and Drug Safety von Urban, Laszlo, Patel, Vinod, Vaz, Roy J

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Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site von McLean, Larry R., Zhang, Ying, Li, Hua, Choi, Yong-Mi, Han, Zuoning, Vaz, Roy J., Li, Yi

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On the mechanism of microsomal prostaglandin E synthase type-2—A theoretical study of endoperoxide reaction with MeS von Li, Yi, Angelastro, Michael, Shimshock, Stephen, Reiling, Stephan, Vaz, Roy J.

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Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures von McLean, Larry R., Zhang, Ying, Degnen, William, Peppard, Jane, Cabel, Dasha, Zou, Chao, Tsay, Joseph T., Subramaniam, Arun, Vaz, Roy J., Li, Yi

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Understanding DP receptor antagonism using a CoMSIA approach von Mu, Lan, Aguiar, Joacy, Ardati, Ali, Cao, Bin, Gardner, Charles J., Gillespy, Tim, Harris, Keith, Lim, Sungtaek, Marcus, Robert, Morize, Isabelle, Parkar, Ashfaq, Stefany, David, Li, Yi, Vaz, Roy J., Cirovic, Dragan A.

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Discovery of novel 1-arylmethyl pyrrolidin-2-yl ethanol amines as calcium-sensing receptor antagonists von Gavai, Ashvinikumar V., Vaz, Roy J., Mikkilineni, Amarendra B., Roberge, Jacques Y., Liu, Yalei, Lawrence, R. Michael, Corte, James R., Yang, Wu, Bednarz, Mark, Dickson, John K., Ma, Zhengping, Seethala, Ramakrishna, Feyen, Jean H.M.

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Specificity for a CCR5 Inhibitor Is Conferred by a Single Amino Acid Residue: ROLE OF ILE von Lau, Gloria, Labrecque, Jean, Metz, Markus, Vaz, Roy, Fricker, Simon P.

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CoMFA, Synthesis, and Pharmacological Evaluation of (E)-3-(2-Carboxy-2-arylvinyl)-4,6-dichloro-1H-indole-2-carboxylic Acids:  3-[2-(3-Aminophenyl)-2-carboxyvinyl]-4,6-dichloro-1H-i... von Baron, Bruce M, Cregge, Robert J, Farr, Robert A, Friedrich, Dirk, Gross, Raymond S, Harrison, Boyd L, Janowick, David A, Matthews, Donald, McCloskey, Timothy C, Meikrantz, Scott, Nyce, Philip L, Vaz, Roy, Metz, William A

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Design of bivalent ligands using hydrogen bond linkers: synthesis and evaluation of inhibitors for human β-tryptase von Vaz, Roy J., Gao, Zhongli, Pribish, James, Chen, Xin, Levell, Julian, Davis, Larry, Albert, Eva, Brollo, Maurice, Ugolini, Antonio, Cramer, Dona M., Cairns, Jennifer, Sides, Keith, Liu, Feng, Kwong, Jennifer, Kang, Jiesheng, Rebello, Sam, Elliot, Michael, Lim, HengKeang, Chellaraj, Vinolia, Singleton, Robert W., Li, Yi

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Novel Steroidal Vinyl Fluorides as Inhibitors of Steroid C17(20) Lyase von Burkhart, Joseph P, Weintraub, Philip M, Gates, Cynthia A, Resvick, Robert J, Vaz, Roy J, Friedrich, Dirk, Angelastro, Michael R, Bey, Philippe, Peet, Norton P

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