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56,262 results
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Fragment-based local statistical potentials derived by combining an alphabet of protein local structures with secondary structures and solvent accessibilities.
Li Q, Zhou C, Liu H. Li Q, et al. Among authors: liu h. Proteins. 2009 Mar;74(4):820-36. doi: 10.1002/prot.22191. Proteins. 2009. PMID: 18704928
Molecular dynamics simulations of peptides and proteins with amplified collective motions.
Zhang Z, Shi Y, Liu H. Zhang Z, et al. Among authors: liu h. Biophys J. 2003 Jun;84(6):3583-93. doi: 10.1016/S0006-3495(03)75090-5. Biophys J. 2003. PMID: 12770868 Free PMC article.
Molecular dynamics simulation of the unfolding of the human prion protein domain under low pH and high temperature conditions.
Gu W, Wang T, Zhu J, Shi Y, Liu H. Gu W, et al. Among authors: liu h. Biophys Chem. 2003 May 1;104(1):79-94. doi: 10.1016/s0301-4622(02)00340-x. Biophys Chem. 2003. PMID: 12834829
How well can we predict native contacts in proteins based on decoy structures and their energies?
Zhu J, Zhu Q, Shi Y, Liu H. Zhu J, et al. Among authors: liu h. Proteins. 2003 Sep 1;52(4):598-608. doi: 10.1002/prot.10444. Proteins. 2003. PMID: 12910459
Parallel iterative reaction path optimization in ab initio quantum mechanical/molecular mechanical modeling of enzyme reactions.
Liu H, Lu Z, Cisneros GA, Yang W. Liu H, et al. J Chem Phys. 2004 Jul 8;121(2):697-706. doi: 10.1063/1.1759318. J Chem Phys. 2004. PMID: 15260596
Adapting the nudged elastic band method for determining minimum-energy paths of chemical reactions in enzymes.
Xie L, Liu H, Yang W. Xie L, et al. Among authors: liu h. J Chem Phys. 2004 May 1;120(17):8039-52. doi: 10.1063/1.1691404. J Chem Phys. 2004. PMID: 15267723
Structural basis for SUMO-E2 interaction revealed by a complex model using docking approach in combination with NMR data.
Ding H, Yang Y, Zhang J, Wu J, Liu H, Shi Y. Ding H, et al. Among authors: liu h. Proteins. 2005 Dec 1;61(4):1050-8. doi: 10.1002/prot.20695. Proteins. 2005. PMID: 16224784
Transition state ensemble for the folding of B domain of protein A: a comparison of distributed molecular dynamics simulations with experiments.
Cheng S, Yang Y, Wang W, Liu H. Cheng S, et al. Among authors: liu h. J Phys Chem B. 2005 Dec 15;109(49):23645-54. doi: 10.1021/jp0517798. J Phys Chem B. 2005. PMID: 16375343
Genetic algorithms for protein conformation sampling and optimization in a discrete backbone dihedral angle space.
Yang Y, Liu H. Yang Y, et al. Among authors: liu h. J Comput Chem. 2006 Oct;27(13):1593-602. doi: 10.1002/jcc.20463. J Comput Chem. 2006. PMID: 16868993
Determination of conformational free energies of peptides by multidimensional adaptive umbrella sampling.
Wang J, Gu Y, Liu H. Wang J, et al. Among authors: liu h. J Chem Phys. 2006 Sep 7;125(9):094907. doi: 10.1063/1.2346681. J Chem Phys. 2006. PMID: 16965119
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