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In Silico Folding of a Three Helix Protein and Characterization of Its Free-Energy Landscape in an All-Atom Force FieldWDR11, a WD protein that interacts with transcription factor EMX1, is mutated in idiopathic hypogonadotropic hypogonadism and Kallmann syndromeMutations in CHD7, encoding a chromatin-remodeling protein, cause idiopathic hypogonadotropic hypogonadism and Kallmann syndromeAll-atom folding of the three-helix HIV accessory protein with an adaptive parallel tempering method.Protein structure prediction by all-atom free-energy refinement.Template-free protein structure prediction and quality assessment with an all-atom free-energy model.Performance assessment of different constraining potentials in computational structure prediction for disulfide-bridged proteins.7-Alkyl-3-benzylcoumarins: a versatile scaffold for the development of potent and selective cannabinoid receptor agonists and antagonists.A peptidic unconjugated GRP78/BiP ligand modulates the unfolded protein response and induces prostate cancer cell deathConcomitant partial exon skipping by a unique missense mutation of RPS6KA3 causes Coffin-Lowry syndrome.Structure of the membrane anchor of pestivirus glycoprotein E(rns), a long tilted amphipathic helix.A fluorescence polarization assay for the experimental validation of an in silico model of the chemokine CXCL8 binding to receptor-derived peptides.Six hydrophobins are involved in hydrophobin rodlet formation in Aspergillus nidulans and contribute to hydrophobicity of the spore surface.Designing Molecular Printboards: A Photolithographic Platform for Recodable Surfaces.Differential hERG ion channel activity of ultrasmall gold nanoparticles.Nasal embryonic LHRH factor (NELF) mutations in patients with normosmic hypogonadotropic hypogonadism and Kallmann syndrome.Modelling proteins: conformational sampling and reconstruction of folding kinetics.Two base pair duplexes suffice to build a novel material.Ligand-lipid and ligand-core affinity control the interaction of gold nanoparticles with artificial lipid bilayers and cell membranes.Interfacial dominated ferromagnetism in nanograined ZnO: a μSR and DFT study.SIMONA 1.0: an efficient and versatile framework for stochastic simulations of molecular and nanoscale systems.Superexchange Charge Transport in Loaded Metal Organic Frameworks.Selective dispersion of single-walled carbon nanotubes with specific chiral indices by poly(N-decyl-2,7-carbazole).Ultrarobust Thin-Film Devices from Self-Assembled Metal-Terpyridine Oligomers.PowerBorn: A Barnes-Hut Tree Implementation for Accurate and Efficient Born Radii Computation.An all-atom force field for tertiary structure prediction of helical proteins.Magnetic anisotropy of graphene quantum dots decorated with a ruthenium adatom.Different interface orientations of pentacene and PTCDA induce different degrees of disorder.An evolutionary strategy for all-atom folding of the 60-amino-acid bacterial ribosomal protein l20.Charge carrier mobility and electronic properties of Al(Op)3: impact of excimer formation.A free-energy approach for all-atom protein simulation.hERG K+ channel-associated cardiac effects of the antidepressant drug desipramine.Modeling disordered morphologies in organic semiconductors.Folding path and funnel scenarios for two small disulfide-bridged proteins.Conformational landscape of the HIV-V3 hairpin loop from all-atom free-energy simulations.Influence of endohedral water on diameter sorting of single-walled carbon nanotubes by density gradient centrifugation.Folding and self-assembly of the TatA translocation pore based on a charge zipper mechanism.meso-Tetrahydropyranylperoxides: molecular structures in solution, in the crystal, and by DFT calculations and their isomerization to the racemate.Fluctuation analysis and accuracy of a large-scale in silico screen.Calculation of the "absolute" free energy of a β-hairpin in an all-atom force field.
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description
hulumtues
@sq
natuurkundige
@nl
researcher
@en
ricercatore
@it
հետազոտող
@hy
name
Wolfgang Wenzel
@ast
Wolfgang Wenzel
@en
Wolfgang Wenzel
@es
Wolfgang Wenzel
@nl
Wolfgang Wenzel
@sl
type
label
Wolfgang Wenzel
@ast
Wolfgang Wenzel
@en
Wolfgang Wenzel
@es
Wolfgang Wenzel
@nl
Wolfgang Wenzel
@sl
prefLabel
Wolfgang Wenzel
@ast
Wolfgang Wenzel
@en
Wolfgang Wenzel
@es
Wolfgang Wenzel
@nl
Wolfgang Wenzel
@sl
P108
P227
P1053
B-3207-2009
P21
P214
10145192840470410434
P227
1080504516
P31
P3829
P496
0000-0001-9487-4689