Han Zheng, Ph.D. - Publications
Affiliations: | Chemistry | New York University, New York, NY, United States |
Area:
Enzyme simulationsYear | Citation | Score | |||
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2013 | Cai Y, Zheng H, Ding S, Kropachev K, Schwaid AG, Tang Y, Mu H, Wang S, Geacintov NE, Zhang Y, Broyde S. Free energy profiles of base flipping in intercalative polycyclic aromatic hydrocarbon-damaged DNA duplexes: energetic and structural relationships to nucleotide excision repair susceptibility. Chemical Research in Toxicology. 26: 1115-25. PMID 23758590 DOI: 10.1021/Tx400156A | 0.521 | |||
2010 | Zheng H, Cai Y, Ding S, Tang Y, Kropachev K, Zhou Y, Wang L, Wang S, Geacintov NE, Zhang Y, Broyde S. Base flipping free energy profiles for damaged and undamaged DNA. Chemical Research in Toxicology. 23: 1868-70. PMID 21090780 DOI: 10.1021/Tx1003613 | 0.555 | |||
2009 | Zheng H, Zhang Y. Introducing sampling entropy in repository based adaptive umbrella sampling. The Journal of Chemical Physics. 131: 214105. PMID 19968335 DOI: 10.1063/1.3267549 | 0.564 | |||
2009 | Zheng H, Wang S, Zhang Y. Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulations. Journal of Computational Chemistry. 30: 2706-11. PMID 19399770 DOI: 10.1002/Jcc.21296 | 0.54 | |||
2008 | Zheng H, Zhang Y. Determination of free energy profiles by repository based adaptive umbrella sampling: bridging nonequilibrium and quasiequilibrium simulations. The Journal of Chemical Physics. 128: 204106. PMID 18513009 DOI: 10.1063/1.2920476 | 0.562 | |||
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