Wang Z - Search Results

1

The binding of thioflavin T and its neutral analog BTA-1 to protofibrils of the Alzheimer's disease Abeta(16-22) peptide probed by molecular dynamics simulations.

Wu C, Wang Z, Lei H, Duan Y, Bowers MT, Shea JE. Wu C, et al. Among authors: wang z. J Mol Biol. 2008 Dec 19;384(3):718-29. doi: 10.1016/j.jmb.2008.09.062. Epub 2008 Oct 7. J Mol Biol. 2008. PMID: 18851978 Free PMC article.

2

Molecular dynamics simulations and free energy analyses on the dimer formation of an amyloidogenic heptapeptide from human beta2-microglobulin: implication for the protofibril structure.

Lei H, Wu C, Wang Z, Duan Y. Lei H, et al. Among authors: wang z. J Mol Biol. 2006 Mar 3;356(4):1049-63. doi: 10.1016/j.jmb.2005.11.087. Epub 2005 Dec 15. J Mol Biol. 2006. PMID: 16403526

3

Dual binding modes of Congo red to amyloid protofibril surface observed in molecular dynamics simulations.

Wu C, Wang Z, Lei H, Zhang W, Duan Y. Wu C, et al. Among authors: wang z. J Am Chem Soc. 2007 Feb 7;129(5):1225-32. doi: 10.1021/ja0662772. J Am Chem Soc. 2007. PMID: 17263405

4

Phenol red interacts with the protofibril-like oligomers of an amyloidogenic hexapeptide NFGAIL through both hydrophobic and aromatic contacts.

Wu C, Lei H, Wang Z, Zhang W, Duan Y. Wu C, et al. Among authors: wang z. Biophys J. 2006 Nov 15;91(10):3664-72. doi: 10.1529/biophysj.106.081877. Epub 2006 Aug 25. Biophys J. 2006. PMID: 16935948 Free PMC article.

5

Solvation effects on alanine dipeptide: A MP2/cc-pVTZ//MP2/6-31G** study of (Phi, Psi) energy maps and conformers in the gas phase, ether, and water.

Wang ZX, Duan Y. Wang ZX, et al. J Comput Chem. 2004 Nov 15;25(14):1699-716. doi: 10.1002/jcc.20092. J Comput Chem. 2004. PMID: 15362127

6

Strike a balance: optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides.

Wang ZX, Zhang W, Wu C, Lei H, Cieplak P, Duan Y. Wang ZX, et al. J Comput Chem. 2006 Apr 30;27(6):781-90. doi: 10.1002/jcc.20386. J Comput Chem. 2006. PMID: 16526038 Free PMC article.

7

Folding processes of the B domain of protein A to the native state observed in all-atom ab initio folding simulations.

Lei H, Wu C, Wang ZX, Zhou Y, Duan Y. Lei H, et al. J Chem Phys. 2008 Jun 21;128(23):235105. doi: 10.1063/1.2937135. J Chem Phys. 2008. PMID: 18570534 Free PMC article.

8

Dual folding pathways of an alpha/beta protein from all-atom ab initio folding simulations.

Lei H, Wang ZX, Wu C, Duan Y. Lei H, et al. J Chem Phys. 2009 Oct 28;131(16):165105. doi: 10.1063/1.3238567. J Chem Phys. 2009. PMID: 19894980 Free PMC article.

9

Accurate ab Initio Study on the Hydrogen-Bond Pairs in Protein Secondary Structures.

Wang ZX, Wu C, Lei H, Duan Y. Wang ZX, et al. J Chem Theory Comput. 2007;3(4):1527-1537. doi: 10.1021/ct700021f. J Chem Theory Comput. 2007. PMID: 26221082 Free PMC article.

10

The fast-folding HP35 double mutant has a substantially reduced primary folding free energy barrier.

Lei H, Deng X, Wang Z, Duan Y. Lei H, et al. Among authors: wang z. J Chem Phys. 2008 Oct 21;129(15):155104. doi: 10.1063/1.2995987. J Chem Phys. 2008. PMID: 19045234 Free PMC article.

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