Effects of Coulomb and vdW modifiers on hydrogen-bonds, energy and structural properties of peptide nanomembranes: A study by Molecular Dynamics simulations
Agnaldo R. de Almeida, Guilherme Colherinhas, Douglas X. de Andrade
Topics & Concepts
van der Waals forceMolecular dynamicsNanomaterialsPeptideHydrogen bondChemical physicsComputational chemistryMaterials scienceVerlet integrationNanotechnologyChemistryMoleculeOrganic chemistryBiochemistrySupramolecular Self-Assembly in MaterialsProtein Structure and DynamicsProtein Hydrolysis and Bioactive Peptides