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Muraymycin-MraY complex in lipid bilayer
Muraymycin in complex with MraY from Aquifex aeolicus embeded in a DPPC lipid bilayer ChemMedChem 2020, 15, 1429 – 1438 -
Muraymycin-MraY complex in lipid bilayer
Muraymycin in complex with MraY from Aquifex aeolicus embeded in a DPPC lipid bilayer ChemMedChem 2020, 15, 1429 – 1438 -
POPC_bilayer_1RTD1_repeat3
A lipid bilayer consisting of 512 POPC molecules and 1 RTD-1 (Rhesus Theta Defensin),300ns total, repeat 3 -
POPC_bilayer_1RTD1_repeat2
A lipid bilayer consisting of 512 POPC molecules and 1 RTD-1 (Rhesus Theta Defensin),300ns total, repeat 2 -
POPC_bilayer_1RTD1_repeat1
A lipid bilayer consisting of 512 POPC molecules and 1 RTD-1 (Rhesus Theta Defensin),300ns total, repeat 1 -
POPC bilayer with pore and RTD-1 repeat 1
A lipid bilayer consisting of 512 POPC molecules with pre-formed pore and 4 RTD-1 (Rhesus Theta Defensin), repeat 1, TauP has been changed at 50ns of the simulation -
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.