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倪 忠(硕导)














1.Ni Z,et. al. A Combination of Computational and Experimental Approaches to Investigate the Binding Behavior ofB.subLipase A Mutants with SubstratepNPP.Mol. Inform.2011, 30: 359-367.

2.Ni Z,et. al.Integrating In Silico and In Vitro Approaches to Dissect the Stereoselectivity of Bacillus subtilis Lipase A towards Ketoprofen Vinyl Ester.Chem. Biol. Drug Des.2011, 78: 301-308.

3.Ni Z,et. al.Insight into substituent effects in Cal-B catalyzed transesterification by combining experimental and theoretical approaches.J. Mol. Model. 2013, 19, 349-358.

4.Ni Z,et. al.Just an additional hydrogen bond can dramatically reduce the catalytic activity ofB. sublipase A I12T mutant: an integration of computational modeling and experimental analysis. Comput. Biol. Med. 2013, 43: 1882-1888.

5.Ni Z,et. al.Why is substrate peptide binding unsusceptible to multidrug-resistant mutations in HIV-1 protease? A structural and energetic analysis.Int. J. Pept. Res. Ther.(In press, DOI: 10.1007/s10989-013-9365-9).

6.Ni Z,et. al.Insight into molecular mechanism underlying the transesterification catalyzed by penicillin G amidase (PGA) using a combination protocol of experimental and theoretical analyses.Mol. Simul.(In press, DOI: 10.1080/08927022.2013.850500).

7. Ning JH, Chen WW, Li JJ, Peng ZX, Wang JH,Ni Z*.Structural and energetic insights into sequence-specific interaction in DNA–drug recognition: development of affinity predictor and analysis of binding selectivity.J Mol Model. 2013, 19: 1573-1582.

8. Jin R, Ma Y, Qin L,Ni Z*. Structure-based prediction of domain-peptide binding affinity by dissecting residue interaction profile at complex interface: a case study on CAL PDZ domain,Protein Pept. Lett.2013, 20: 1018-1028.

9. Chen HY, Sun TY, Chen HZ, Tian R, Zhan TX, Chen Z,Ni Z*.Structural and energetic insights into the selective interactions of monoacylglycerol lipase with its natural substrate and small-molecule inhibitors.Med. Chem. Res.(In press, DOI: 10.1007/s00044-013-0832-9).

10.Jin X, Liu B,Ni Z,et. al.A novel control of enzymatic enantioselectivity through the racemic temperature influenced by reaction media.Enzyme Micro. Tech.2011, 48: 454-457.

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