about
The myosin X motor is optimized for movement on actin bundles.Allosteric communication in myosin V: from small conformational changes to large directed movementsDiscovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations.Pi release from myosin: a simulation analysis of possible pathways.Allosteric regulation of pentameric ligand-gated ion channels: an emerging mechanistic perspectiveA conformational transition in the myosin VI converter contributes to the variable step size.Photo-switchable tweezers illuminate pore-opening motions of an ATP-gated P2X ion channelA simplified confinement method for calculating absolute free energies and free energy and entropy differences.Myosin MyTH4-FERM structures highlight important principles of convergent evolution.Calculation of free-energy differences by confinement simulations. Application to peptide conformersA gating mechanism of pentameric ligand-gated ion channels.Predicting self-assembly: from empirism to determinism.The nicotinic acetylcholine receptor and its prokaryotic homologues: Structure, conformational transitions & allosteric modulation.Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.A molecular dynamics approach to the structural characterization of amyloid aggregation.Un-gating and allosteric modulation of a pentameric ligand-gated ion channel captured by molecular dynamics.Modeling the adsorption equilibrium of small-molecule gases on graphene: effect of the volume to surface ratio.Perchlorination of Coronene Enhances its Propensity for Self-Assembly on Graphene.Predicting molecular self-assembly at surfaces: a statistical thermodynamics and modeling approach.Quantum Corrections to the Free Energy Difference between Peptides and Proteins Conformers.Space and Time Evolution of the Electrostatic Potential During the Activation of a Visual Pigment.A supramolecular strategy to leverage the liquid-phase exfoliation of graphene in the presence of surfactants: unraveling the role of the length of fatty acids.Atomically Precise Prediction of 2D Self-Assembly of Weakly Bonded Nanostructures: STM Insight into Concentration-Dependent Architectures.Wordom: a program for efficient analysis of molecular dynamics simulations.In silico discovery of beta-secretase inhibitors.Automated docking of highly flexible ligands by genetic algorithms: a critical assessment.Harnessing complexity in molecular self-assembly using computer simulations.Surface-induced selection during in situ photoswitching at the solid/liquid interface.A Monte Carlo study of the chiral columnar organizations of dissymmetric discotic mesogensAccurate and Efficient Calculation of the Desorption Energy of Small Molecules from GrapheneAn Ion-Permeable State of the Glycine Receptor Captured by Molecular DynamicsA Linear Interaction Energy Model for Cavitand Host–Guest Binding AffinitiesAn intermediate along the recovery stroke of myosin VI revealed by X-ray crystallography and molecular dynamicsAccurate Calculation of Conformational Free Energy Differences in Explicit Water: The Confinement–Solvation Free Energy ApproachSelf-templating 2D supramolecular networks: a new avenue to reach control over a bilayer formationAdsorption of Aromatic and Anti-Aromatic Systems on Graphene through π−π StackingAtomistic Simulations of 2D Bicomponent Self-Assembly: From Molecular Recognition to Self-HealingConformational Free-Energy Difference of a Miniprotein from Nonequilibrium SimulationsReplica exchange molecular dynamics simulations of amyloid peptide aggregationOn the Functional Annotation of Open-Channel Structures in the Glycine Receptor
P50
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P50
description
researcher ORCID: 0000-0003-2671-1583
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wetenschapper
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name
Marco Cecchini
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Marco Cecchini
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Marco Cecchini
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Marco Cecchini
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Marco Cecchini
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type
label
Marco Cecchini
@ast
Marco Cecchini
@en
Marco Cecchini
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Marco Cecchini
@nl
Marco Cecchini
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prefLabel
Marco Cecchini
@ast
Marco Cecchini
@en
Marco Cecchini
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Marco Cecchini
@nl
Marco Cecchini
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P108
P106
P1153
55981110900
P21
P31
P496
0000-0003-2671-1583