Huang N - Search Results

1

Automated docking screens: a feasibility study.

Irwin JJ, Shoichet BK, Mysinger MM, Huang N, Colizzi F, Wassam P, Cao Y. Irwin JJ, et al. Among authors: huang n. J Med Chem. 2009 Sep 24;52(18):5712-20. doi: 10.1021/jm9006966. J Med Chem. 2009. PMID: 19719084 Free PMC article.

2

Physics-based scoring of protein-ligand complexes: enrichment of known inhibitors in large-scale virtual screening.

Huang N, Kalyanaraman C, Irwin JJ, Jacobson MP. Huang N, et al. J Chem Inf Model. 2006 Jan-Feb;46(1):243-53. doi: 10.1021/ci0502855. J Chem Inf Model. 2006. PMID: 16426060

3

Benchmarking sets for molecular docking.

Huang N, Shoichet BK, Irwin JJ. Huang N, et al. J Med Chem. 2006 Nov 16;49(23):6789-801. doi: 10.1021/jm0608356. J Med Chem. 2006. PMID: 17154509 Free PMC article.

4

Exploiting ordered waters in molecular docking.

Huang N, Shoichet BK. Huang N, et al. J Med Chem. 2008 Aug 28;51(16):4862-5. doi: 10.1021/jm8006239. Epub 2008 Aug 5. J Med Chem. 2008. PMID: 18680357 Free PMC article.

5

Molecular mechanics methods for predicting protein-ligand binding.

Huang N, Kalyanaraman C, Bernacki K, Jacobson MP. Huang N, et al. Phys Chem Chem Phys. 2006 Nov 28;8(44):5166-77. doi: 10.1039/b608269f. Epub 2006 Sep 1. Phys Chem Chem Phys. 2006. PMID: 17203140 Review.

6

Physics-based methods for studying protein-ligand interactions.

Huang N, Jacobson MP. Huang N, et al. Curr Opin Drug Discov Devel. 2007 May;10(3):325-31. Curr Opin Drug Discov Devel. 2007. PMID: 17554859 Review.

7

Automated site preparation in physics-based rescoring of receptor ligand complexes.

Rapp CS, Schonbrun C, Jacobson MP, Kalyanaraman C, Huang N. Rapp CS, et al. Among authors: huang n. Proteins. 2009 Oct;77(1):52-61. doi: 10.1002/prot.22415. Proteins. 2009. PMID: 19382204 Free PMC article.

8

A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling.

Wan X, Zhang W, Li L, Xie Y, Li W, Huang N. Wan X, et al. Among authors: huang n. J Med Chem. 2013 Mar 28;56(6):2619-29. doi: 10.1021/jm400045y. Epub 2013 Mar 15. J Med Chem. 2013. PMID: 23442188

9

Structure-Based Discovery of Novel and Selective 5-Hydroxytryptamine 2B Receptor Antagonists for the Treatment of Irritable Bowel Syndrome.

Zhou Y, Ma J, Lin X, Huang XP, Wu K, Huang N. Zhou Y, et al. Among authors: huang n, huang xp. J Med Chem. 2016 Jan 28;59(2):707-20. doi: 10.1021/acs.jmedchem.5b01631. Epub 2016 Jan 7. J Med Chem. 2016. PMID: 26700945

10

Identification of novel inhibitors of BCR-ABL tyrosine kinase via virtual screening.

Peng H, Huang N, Qi J, Xie P, Xu C, Wang J, Yang C. Peng H, et al. Among authors: huang n. Bioorg Med Chem Lett. 2003 Nov 3;13(21):3693-9. doi: 10.1016/j.bmcl.2003.08.014. Bioorg Med Chem Lett. 2003. PMID: 14552760

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