Journal Article 4 reweighting metadynamics 3 Research Support, Non-U.S. Gov't 2 Aptamers, Nucleotide 1 C137DTR5RG 1 Ligands 1 mehr ... Proteins 1 Research Support, N.I.H., Extramural 1 Research Support, U.S. Gov't, Non-P.H.S. 1 Theophylline 1 accelerated molecular dynamics 1 alchemical free energy calculation 1 binding pose 1 collective variable 1 enhanced sampling 1 free energy 1 free energy calculations 1 free energy landscape 1 grid calculations 1 molecular dynamics 1 protein folding 1 standard free energy 1 umbrella sampling 1 weighted histogram analysis 1 weniger ...