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Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field.
Wang L, Wu Y, Deng Y, Kim B, Pierce L, Krilov G, Lupyan D, Robinson S, Dahlgren MK, Greenwood J, Romero DL, Masse C, Knight JL, Steinbrecher T, Beuming T, Damm W, Harder E, Sherman W, Brewer M, Wester R, Murcko M, Frye L, Farid R, Lin T, Mobley DL, Jorgensen WL, Berne BJ, Friesner RA, Abel R. Wang L, et al. Among authors: wester r. J Am Chem Soc. 2015 Feb 25;137(7):2695-703. doi: 10.1021/ja512751q. Epub 2015 Feb 12. J Am Chem Soc. 2015. PMID: 25625324
Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Leit S, Greenwood JR, Mondal S, Carriero S, Dahlgren M, Harriman GC, Kennedy-Smith JJ, Kapeller R, Lawson JP, Romero DL, Toms AV, Shelley M, Wester RT, Westlin W, McElwee JJ, Miao W, Edmondson SD, Masse CE. Leit S, et al. Among authors: wester rt. Bioorg Med Chem Lett. 2022 Oct 1;73:128891. doi: 10.1016/j.bmcl.2022.128891. Epub 2022 Jul 13. Bioorg Med Chem Lett. 2022. PMID: 35842205
Discovery of zoniporide: a potent and selective sodium-hydrogen exchanger type 1 (NHE-1) inhibitor with high aqueous solubility.
Guzman-Perez A, Wester RT, Allen MC, Brown JA, Buchholz AR, Cook ER, Day WW, Hamanaka ES, Kennedy SP, Knight DR, Kowalczyk PJ, Marala RB, Mularski CJ, Novomisle WA, Ruggeri RB, Tracey WR, Hill RJ. Guzman-Perez A, et al. Among authors: wester rt. Bioorg Med Chem Lett. 2001 Mar 26;11(6):803-7. doi: 10.1016/s0960-894x(01)00059-2. Bioorg Med Chem Lett. 2001. PMID: 11277524
Raising high-density lipoprotein in humans through inhibition of cholesteryl ester transfer protein: an initial multidose study of torcetrapib.
Clark RW, Sutfin TA, Ruggeri RB, Willauer AT, Sugarman ED, Magnus-Aryitey G, Cosgrove PG, Sand TM, Wester RT, Williams JA, Perlman ME, Bamberger MJ. Clark RW, et al. Arterioscler Thromb Vasc Biol. 2004 Mar;24(3):490-7. doi: 10.1161/01.ATV.0000118278.21719.17. Epub 2004 Jan 22. Arterioscler Thromb Vasc Biol. 2004. PMID: 14739125 Clinical Trial.
Discovery of inhibitors of human renin with high oral bioavailability.
Hoover DJ, Lefker BA, Rosati RL, Wester RT, Kleinman EF, Bindra JS, Holt WF, Murphy WR, Mangiapane ML, Hockel GM, et al. Hoover DJ, et al. Among authors: wester rt. Adv Exp Med Biol. 1995;362:167-80. doi: 10.1007/978-1-4615-1871-6_21. Adv Exp Med Biol. 1995. PMID: 8540316
292 results