Li H - Search Results

1

Synergistic approach to improve "alchemical" free energy calculation in rugged energy surface.

Min D, Li H, Li G, Bitetti-Putzer R, Yang W. Min D, et al. Among authors: li g, li h. J Chem Phys. 2007 Apr 14;126(14):144109. doi: 10.1063/1.2715950. J Chem Phys. 2007. PMID: 17444703

2

Finite reservoir replica exchange to enhance canonical sampling in rugged energy surfaces.

Li H, Li G, Berg BA, Yang W. Li H, et al. Among authors: li g. J Chem Phys. 2006 Oct 14;125(14):144902. doi: 10.1063/1.2354157. J Chem Phys. 2006. PMID: 17042645

3

Simulated scaling method for localized enhanced sampling and simultaneous "alchemical" free energy simulations: a general method for molecular mechanical, quantum mechanical, and quantum mechanical/molecular mechanical simulations.

Li H, Fajer M, Yang W. Li H, et al. J Chem Phys. 2007 Jan 14;126(2):024106. doi: 10.1063/1.2424700. J Chem Phys. 2007. PMID: 17228942

4

Sampling enhancement for the quantum mechanical potential based molecular dynamics simulations: a general algorithm and its extension for free energy calculation on rugged energy surface.

Li H, Yang W. Li H, et al. J Chem Phys. 2007 Mar 21;126(11):114104. doi: 10.1063/1.2710790. J Chem Phys. 2007. PMID: 17381193

5

Essential energy space random walk via energy space metadynamics method to accelerate molecular dynamics simulations.

Li H, Min D, Liu Y, Yang W. Li H, et al. J Chem Phys. 2007 Sep 7;127(9):094101. doi: 10.1063/1.2769356. J Chem Phys. 2007. PMID: 17824726

6

Mapping electron paramagnetic resonance spin label conformations by the simulated scaling method.

Fajer MI, Li H, Yang W, Fajer PG. Fajer MI, et al. Among authors: li h. J Am Chem Soc. 2007 Nov 14;129(45):13840-6. doi: 10.1021/ja071404v. Epub 2007 Oct 19. J Am Chem Soc. 2007. PMID: 17948993

In order to efficiently simulate spin label behavior when attached to the protein backbone we developed a novel approach that enhances local conformational sampling. The simulated scaling (SS) approach (Li, H., et al. J. Chem. Phys. 2007, 126, 24106) couples the ran …

In order to efficiently simulate spin label behavior when attached to the protein backbone we developed a novel approach that enhances local …

7

Nature of "hydrogen bond" in the diborane-benzene complex: covalent, electrostatic, or dispersive?

Li H, Min D, Shore SG, Lipscomb WN, Yang W. Li H, et al. Inorg Chem. 2007 May 14;46(10):3956-9. doi: 10.1021/ic061857l. Epub 2007 Apr 12. Inorg Chem. 2007. PMID: 17428045

8

An enzymatic atavist revealed in dual pathways for water activation.

Min D, Josephine HR, Li H, Lakner C, MacPherson IS, Naylor GJ, Swofford D, Hedstrom L, Yang W. Min D, et al. Among authors: li h. PLoS Biol. 2008 Aug 26;6(8):e206. doi: 10.1371/journal.pbio.0060206. PLoS Biol. 2008. PMID: 18752347 Free PMC article.

9

Alternative conformations of the archaeal Nop56/58-fibrillarin complex imply flexibility in box C/D RNPs.

Oruganti S, Zhang Y, Li H, Robinson H, Terns MP, Terns RM, Yang W, Li H. Oruganti S, et al. Among authors: li h. J Mol Biol. 2007 Aug 31;371(5):1141-50. doi: 10.1016/j.jmb.2007.06.029. Epub 2007 Jun 15. J Mol Biol. 2007. PMID: 17617422

10

Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.

Tian L, Kim MS, Li H, Wang J, Yang W. Tian L, et al. Among authors: li h. Proc Natl Acad Sci U S A. 2018 Jan 16;115(3):507-512. doi: 10.1073/pnas.1719746115. Epub 2018 Jan 2. Proc Natl Acad Sci U S A. 2018. PMID: 29295939 Free PMC article.

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