-
1x BDTAC molecule in water 1/1
Benzyldimethyltetradecylammonium chloride (1x BDTAC) in water, 100 mM NaCl, simulated for 50 ns -
DMPC lipid bilayer 1/1
Hydrated 512-DMPC lipid bilayer simulated for 150 ns -
Pairwise thermodynamic integration of ligand 358715 to 325830 in SPC water
Thermodynamic integration in SPC water of ligand 358715 to 325830 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325839 to 325831 in SPC water
Thermodynamic integration in SPC water of ligand 325839 to 325831 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325839 to 325829 in SPC water
Thermodynamic integration in SPC water of ligand 325839 to 325829 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325839 to 325823 in SPC water
Thermodynamic integration in SPC water of ligand 325839 to 325823 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325836 to 358715 in SPC water
Thermodynamic integration in SPC water of ligand 325836 to 358715 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325836 to 325833 in SPC water
Thermodynamic integration in SPC water of ligand 325836 to 325833 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325836 to 325824 in SPC water
Thermodynamic integration in SPC water of ligand 325836 to 325824 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325835 to 325833 in SPC water
Thermodynamic integration in SPC water of ligand 325835 to 325833 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325834 to 325824 in SPC water
Thermodynamic integration in SPC water of ligand 325834 to 325824 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325833 to 325825 in SPC water
Thermodynamic integration in SPC water of ligand 325833 to 325825 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325831 to 325836 in SPC water
Thermodynamic integration in SPC water of ligand 325831 to 325836 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325830 to 325823 in SPC water
Thermodynamic integration in SPC water of ligand 325830 to 325823 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325829 to 325836 in SPC water
Thermodynamic integration in SPC water of ligand 325829 to 325836 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325828 to 325839 in SPC water
Thermodynamic integration in SPC water of ligand 325828 to 325839 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325825 to 325820 in SPC water
Thermodynamic integration in SPC water of ligand 325825 to 325820 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325824 to 358715 in SPC water
Thermodynamic integration in SPC water of ligand 325824 to 358715 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325824 to 325823 in SPC water
Thermodynamic integration in SPC water of ligand 325824 to 325823 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325823 to 325834 in SPC water
Thermodynamic integration in SPC water of ligand 325823 to 325834 (atb molid) equilibration at lambda 0 simulated in GROMOS.
