Physical properties and mechanisms connecting protein sequence, structure, dynamics, binding, and catalysis.
Physical properties and mechanisms connecting protein sequence, structure, dynamics, binding, and catalysis.
Catalytic mechanisms, active-site organization, substrate turnover, and enzyme function.
12 items with this tag.
Conformational equilibria, flexibility, allostery, and their functional consequences.
39 items with this tag.
Inferring populations, kinetics, collective variables, and reduced descriptions from ensembles or trajectories.
16 items with this tag.
Physical folding and unfolding pathways, rates, cooperativity, and intermediates; not the computational task of predicting a structure.
19 items with this tag.
Physical determinants of binding, specificity, interfaces, oligomerization, and assembly.
31 items with this tag.
Molecular dynamics, force fields, simulation setup, and enhanced sampling of physical trajectories.
25 items with this tag.
What determines thermodynamic or thermal stability, and how stability couples to other properties. Keep melting temperature, folding free energy, and kinetic stability distinct in the notes.
44 items with this tag.
Free energies, statistical ensembles, partition functions, and the mathematical foundations of equilibrium sampling.
11 items with this tag.