Materials Advances · 2021 · 19 citations · 57 references
Natural SciencesChemical EngineeringChemistryComputational ChemistryPolymer ChemistryProtein EngineeringGelsHydrogelsMolecular DynamicsPeptide ChemistryPolymer PhysicsProtein StructureGelation MechanismsHalogen FunctionalizationHydrogel FormationPeptide HydrogelsPeptide-based GelsPeptide-based HydrogelsStiffness
Halogenation matters! The stacking between phenylalanine side chains can be tuned by halogen atoms attached to the aromatic ring. Herein, computational data are successfully applied in the design of peptide hydrogels with increased stiffness.
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VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text
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G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 10K citations
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