Physical Chemistry Chemical Physics · 2022 · 15 citations · 46 references
Life SciencesBiochemistryBiophysicsMolecular NeuroscienceStructural BiologyStructural BiophysicsAmyloid FormationComputational Molecular BiophysicsMolecular DynamicsProtein DynamicsProtein StructureAmyloid Aggregation KineticsAmyloid Assembly PathwaysAmyloid Beta PeptidesAmyloid Fibril FormationAmyloid-like AssemblyAmyloidogenic PeptidesProtofibril FormationUnfolding Kinetics
The destructive mechanism of Aβ 1–42 protofibrils by protonated and deprotonated norepinephrine revealed via molecular dynamics simulations.
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VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
Multiwfn: A multifunctional wavefunction analyzer
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