Weixin Xu

发表

Acidic pH retards the fibrillization of human Islet Amyloid Polypeptide due to electrostatic repulsion of histidines.

J. H. Zhang, Y. Mu, Yang Li, 2013, The Journal of chemical physics.

Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.

A. Moretto, D. Joseph-McCarthy, T. Mansour, 2007, Journal of medicinal chemistry.

Global optimisation by replica exchange with scaled hybrid Hamiltonians

L. Nordenskiöld, Y. Mu, Weixin Xu, 2008 .

Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors.

J. Levin, A. Gopalsamy, J. Ellingboe, 2009, Bioorganic & medicinal chemistry.

Synthesis and structure-activity relationships of 4-alkynyloxy phenyl sulfanyl, sulfinyl, and sulfonyl alkyl hydroxamates as tumor necrosis factor-α converting enzyme and matrix metalloproteinase inhibitors

J. Skotnicki, J. Levin, J. Ellingboe, 2004 .

Lead identification to generate 3-cyanoquinoline inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment.

D. Boschelli, F. Moy, D. Berger, 2008, Bioorganic & medicinal chemistry letters.

Novel short antibacterial and antifungal peptides with low cytotoxicity: Efficacy and action mechanisms.

Peng Li, M. Chan-Park, P. Li, 2010, Biochemical and biophysical research communications.

Structure of the human telomere in K+ solution: a stable basket-type G-quadruplex with only two G-tetrad layers.

A. Phan, D. Patel, K. W. Lim, 2009, Journal of the American Chemical Society.

Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors.

D. Berger, M. Dutia, D. Powell, 2009, Bioorganic & medicinal chemistry letters.

Reversible folding simulation by hybrid Hamiltonian replica exchange.

Y. Mu, Weixin Xu, T. Lai, 2008, The Journal of chemical physics.

Ab initio folding simulation of Trpcage by replica exchange with hybrid Hamiltonian.

Y. Mu, Weixin Xu, 2008, Biophysical chemistry.

Lead identification to generate isoquinolinedione inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment.

F. Moy, G. Krishnamurthy, L. Di, 2008, Bioorganic & medicinal chemistry letters.

Two N-Terminal Domains of Kv4 K+ Channels Regulate Binding to and Modulation by KChIP1

K. Rhodes, P. Chanda, W. Somers, 2004, Neuron.

Probing acid replacements of thiophene PTP1B inhibitors.

D. Joseph-McCarthy, M. Tam, Weixin Xu, 2007, Bioorganic & medicinal chemistry letters.

3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3.

B. Harrison, A. Robichaud, L. Mosyak, 2009, Bioorganic & medicinal chemistry.

Effects of cholesterol on pore formation in lipid bilayers induced by human islet amyloid polypeptide fragments: a coarse-grained molecular dynamics study.

Yuguang Mu, Lars Nordenskiöld, Guanghong Wei, 2011, Physical review. E, Statistical, nonlinear, and soft matter physics.

A GLOBAL OPTIMIZATION SCHEME: KERNEL REPLICA EXCHANGE SIMULATION METHOD FOR PROTEIN FOLDING

Y. Mu, Weixin Xu, Ye Yang, 2008 .

Characterization of (2R, 3S)-2-([[4-(2-butynyloxy)phenyl]sulfonyl]amino)-N,3-dihydroxybutanamide, a potent and selective inhibitor of TNF-alpha converting enzyme.

V. Rao, M. Hegen, J. Levin, 2004, International immunopharmacology.

Polar confinement modulates solvation behavior of methane molecules.

Y. Mu, Weixin Xu, 2008, The Journal of chemical physics.

Identification of potent and selective TACE inhibitors via the S1 pocket.

Diane Joseph-McCarthy, Linhong Sun, D. Joseph-McCarthy, 2007, Bioorganic & medicinal chemistry letters.

Atomic and dynamic insights into the beneficial effect of the 1,4-naphthoquinon-2-yl-L-tryptophan inhibitor on Alzheimer's Aβ1-42 dimer in terms of aggregation and toxicity.

P. Derreumaux, Y. Mu, Weixin Xu, 2014, ACS chemical neuroscience.

Effect of Self-Assembly of Fullerene Nano-Particles on Lipid Membrane

J. H. Zhang, Saiqun Zhang, Y. Mu, 2013, PloS one.

Assembly dynamics of two-beta sheets revealed by molecular dynamics simulations.

Y. Mu, Weixin Xu, Weifeng Li, 2009, The Journal of chemical physics.

The Molecular Basis of Distinct Aggregation Pathways of Islet Amyloid Polypeptide*

Yuguang Mu, Mary B. Chan-Park, Hua Zhang, 2010, The Journal of Biological Chemistry.

Intrinsic Determinants of Aβ 12–24 pH-Dependent Self-Assembly Revealed by Combined Computational and Experimental Studies

P. Derreumaux, Ce Zhang, A. Gräslund, 2011, PloS one.

Structure‐Based Optimization of Protein Tyrosine Phosphatase‐1 B Inhibitors: Capturing Interactions with Arginine 24

Wei Li, A. Moretto, D. Joseph-McCarthy, 2008, ChemMedChem.

Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: capturing interactions with Asp48.

D. Joseph-McCarthy, Weixin Xu, Zhao‐Kui Wan, 2006, Bioorganic & medicinal chemistry letters.

Improvement of physiochemical properties of the tetrahydroazepinoindole series of farnesoid X receptor (FXR) agonists: beneficial modulation of lipids in primates.

M. Evans, P. Mahaney, W. Hum, 2010, Journal of medicinal chemistry.

Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates.

J. Skotnicki, J. Levin, Weixin Xu, 2005, Bioorganic & medicinal chemistry letters.

Synthesis and activity of quinolinylmethyl P1' alpha-sulfone piperidine hydroxamate inhibitors of TACE.

J. Levin, Linhong Sun, Weixin Xu, 2009, Bioorganic & medicinal chemistry letters.

The Molecular Basis of Distinct Aggregation Pathways of Islet Amyloid Polypeptide*

M. Chan-Park, Lei Wei, Xue‐Wei Liu, 2010, The Journal of Biological Chemistry.

pH-dependent conformational ensemble and polymorphism of amyloid-β core fragment.

J. H. Zhang, Ce Zhang, Y. Mu, 2013, The journal of physical chemistry. B.

Molecular dynamics simulation study on the molecular structures of the amylin fibril models.

John Z H Zhang, Yuguang Mu, H. Su, 2012, The journal of physical chemistry. B.

Conformation preorganization: effects of S20G mutation on the structure of human islet amyloid polypeptide segment.

Y. Mu, Weixin Xu, P. Jiang, 2009, The journal of physical chemistry. B.

Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.

Diane Joseph-McCarthy, Linhong Sun, D. Joseph-McCarthy, 2007, Bioorganic & medicinal chemistry.

Hybrid Hamiltonian replica exchange molecular dynamics simulation method employing the Poisson-Boltzmann model.

Yuguang Mu, Y. Mu, Weixin Xu, 2007, The Journal of chemical physics.

Combined effect of confinement and affinity of crowded environment on conformation switching of adenylate kinase

John Z H Zhang, J. H. Zhang, Fei Xia, 2014, Journal of Molecular Modeling.