Hu R - Search Results

1

Molecular modeling study of the induced-fit effect on kinase inhibition: the case of fibroblast growth factor receptor 3 (FGFR3).

Li Y, Delamar M, Busca P, Prestat G, Le Corre L, Legeai-Mallet L, Hu R, Zhang R, Barbault F. Li Y, et al. Among authors: hu r. J Comput Aided Mol Des. 2015 Jul;29(7):619-41. doi: 10.1007/s10822-015-9841-8. Epub 2015 Mar 26. J Comput Aided Mol Des. 2015. PMID: 25808135

2

Receptor- and ligand-based 3D-QSAR study for a series of non-nucleoside HIV-1 reverse transcriptase inhibitors.

Hu R, Barbault F, Delamar M, Zhang R. Hu R, et al. Bioorg Med Chem. 2009 Mar 15;17(6):2400-9. doi: 10.1016/j.bmc.2009.02.003. Epub 2009 Feb 8. Bioorg Med Chem. 2009. PMID: 19250835

3

Molecular dynamics simulations of 2-amino-6-arylsulphonylbenzonitriles analogues as HIV inhibitors: interaction modes and binding free energies.

Hu R, Barbault F, Maurel F, Delamar M, Zhang R. Hu R, et al. Chem Biol Drug Des. 2010 Dec;76(6):518-26. doi: 10.1111/j.1747-0285.2010.01028.x. Epub 2010 Oct 13. Chem Biol Drug Des. 2010. PMID: 20942836

4

Targeted molecular dynamics (TMD) of the full-length KcsA potassium channel: on the role of the cytoplasmic domain in the opening process.

Li Y, Barbault F, Delamar M, Zhang R, Hu R. Li Y, et al. Among authors: hu r. J Mol Model. 2013 Apr;19(4):1651-66. doi: 10.1007/s00894-012-1726-3. Epub 2013 Jan 5. J Mol Model. 2013. PMID: 23292250

5

QSAR models for 2-amino-6-arylsulfonylbenzonitriles and congeners HIV-1 reverse transcriptase inhibitors based on linear and nonlinear regression methods.

Hu R, Doucet JP, Delamar M, Zhang R. Hu R, et al. Eur J Med Chem. 2009 May;44(5):2158-71. doi: 10.1016/j.ejmech.2008.10.021. Epub 2008 Oct 30. Eur J Med Chem. 2009. PMID: 19054595

6

Using Deep Learning for Compound Selectivity Prediction.

Zhang R, Li J, Lu J, Hu R, Yuan Y, Zhao Z. Zhang R, et al. Among authors: hu r. Curr Comput Aided Drug Des. 2016;12(1):5-14. doi: 10.2174/1573409912666160219113250. Curr Comput Aided Drug Des. 2016. PMID: 26892071

7

The prediction of human oral absorption for diffusion rate-limited drugs based on heuristic method and support vector machine.

Liu HX, Hu RJ, Zhang RS, Yao XJ, Liu MC, Hu ZD, Fan BT. Liu HX, et al. Among authors: hu zd, hu rj. J Comput Aided Mol Des. 2005 Jan;19(1):33-46. doi: 10.1007/s10822-005-0095-8. J Comput Aided Mol Des. 2005. PMID: 16059665

8

Assessing Force Field Potential Energy Function Accuracy via a Multipolar Description of Atomic Electrostatic Interactions in RNA.

Yuan Y, Zhang Z, Mills MJL, Hu R, Zhang R. Yuan Y, et al. Among authors: hu r. J Chem Inf Model. 2018 Nov 26;58(11):2239-2254. doi: 10.1021/acs.jcim.8b00328. Epub 2018 Nov 9. J Chem Inf Model. 2018. PMID: 30362754

9

Prediction of CCR5 receptor binding affinity of substituted 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas based on the heuristic method, support vector machine and projection pursuit regression.

Yuan Y, Zhang R, Hu R, Ruan X. Yuan Y, et al. Among authors: hu r. Eur J Med Chem. 2009 Jan;44(1):25-34. doi: 10.1016/j.ejmech.2008.03.004. Epub 2008 Mar 20. Eur J Med Chem. 2009. PMID: 18433938

10

QSPR prediction of GC retention indices for nitrogen-containing polycyclic aromatic compounds from heuristically computed molecular descriptors.

Hu RJ, Liu HX, Zhang RS, Xue CX, Yao XJ, Liu MC, Hu ZD, Fan BT. Hu RJ, et al. Talanta. 2005 Nov 15;68(1):31-9. doi: 10.1016/j.talanta.2005.04.034. Epub 2005 May 31. Talanta. 2005. PMID: 18970281

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