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Computational 'microscopy' of cellular membranesAn Amphotericin B Derivative Equally Potent to Amphotericin B and with Increased SafetyMolecular dynamics simulations from putative transition states of alpha-spectrin SH3 domain.Molecular dynamics simulations reveal that apo-HisJ can sample a closed conformation.Exchange pathways of plastoquinone and plastoquinol in the photosystem II complex.Phytochemicals perturb membranes and promiscuously alter protein function.The power of coarse graining in biomolecular simulations.Atomistic and Coarse Grain Topologies for the Cofactors Associated with the Photosystem II Core Complex.From light-harvesting to photoprotection: structural basis of the dynamic switch of the major antenna complex of plants (LHCII).Structural determinants of the supramolecular organization of G protein-coupled receptors in bilayers.Interplay of G Protein-Coupled Receptors with the Membrane: Insights from Supra-Atomic Coarse Grain Molecular Dynamics Simulations.Molecular Dynamics of Photosystem II Embedded in the Thylakoid Membrane.Improved Parameters for the Martini Coarse-Grained Protein Force Field.Improved Angle Potentials for Coarse-Grained Molecular Dynamics Simulations.Rhodopsin forms a dimer with cytoplasmic helix 8 contacts in native membranes.Identification of cardiolipin binding sites on cytochrome c oxidase at the entrance of proton channels.Lipid organization of the plasma membrane.Energetics Underlying Twist Polymorphisms in Amyloid Fibrils.Cholesterol binding to a conserved site modulates conformation, pharmacology and transport kinetics of the human serotonin transporter.The MARTINI Coarse-Grained Force Field: Extension to Proteins.Molecular dynamics simulations of transducin: interdomain and front to back communication in activation and nucleotide exchange.A direct interaction of cholesterol with the dopamine transporter prevents its out-to-inward transition.Correction to "Atomistic and Coarse Grain Topologies for the Cofactors Associated with the PhotoSystem II Core Complex".Key issues in the computational simulation of GPCR function: representation of loop domains.Dimer Interface of the Human Serotonin Transporter and Effect of the Membrane Composition.DNA-encircled lipid bilayersFactors That Affect the Degree of Twist in β-Sheet Structures: A Molecular Dynamics Simulation Study of a Cross-β Filament of the GNNQQNY PeptideInsight into the molecular mechanism behind PEG-mediated stabilization of biofluid lipasesG Protein-Coupled Receptors Self-Assemble in Dynamics Simulations of Model BilayersCombining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular RecognitionMolecular mechanism of cardiolipin-mediated assembly of respiratory chain supercomplexes.Convergence and sampling efficiency in replica exchange simulations of peptide folding in explicit solventProbing the free energy landscape of the FBP28WW domain using multiple techniquesIn silico design of robust bolalipid membranesComment on "On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models" by M. Winger, D. Trzesniak, R. Baron and W. F. van Gunsteren, Phys. Chem. Chem. Phys., 2009, 11, 1934Factors that affect the degree of twist in beta-sheet structures: a molecular dynamics simulation study of a cross-beta filament of the GNNQQNY peptideEvidence for cardiolipin binding sites on the membrane-exposed surface of the cytochrome bc1Dry Martini, a coarse-grained force field for lipid membrane simulations with implicit solventDimerization of Amino Acid Side Chains: Lessons from the Comparison of Different Force FieldsMolecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation
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description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Xavier Periole
@ast
Xavier Periole
@en
Xavier Periole
@es
Xavier Periole
@nl
type
label
Xavier Periole
@ast
Xavier Periole
@en
Xavier Periole
@es
Xavier Periole
@nl
prefLabel
Xavier Periole
@ast
Xavier Periole
@en
Xavier Periole
@es
Xavier Periole
@nl
P106
P1153
15760829100
P21
P31
P496
0000-0002-2087-5061