1,170 datasets found

Thermodynamic integration of ligand 325823 to 325828 (atb molid) in complex with a Tyrosine Kinase 2 (Tyk2) protein [pdbid 4GIH] equilibration at lambda 0 simulated in GROMOS.

Thermodynamic integration of ligand 325823 to 325821 (atb molid) in complex with a Tyrosine Kinase 2 (Tyk2) protein [pdbid 4GIH] equilibration at lambda 0 simulated in GROMOS.

Thermodynamic integration of ligand 325822 to 325836 (atb molid) in complex with a Tyrosine Kinase 2 (Tyk2) protein [pdbid 4GIH] equilibration at lambda 0 simulated in GROMOS.

Thermodynamic integration of ligand 325821 to 325839 (atb molid) in complex with a Tyrosine Kinase 2 (Tyk2) protein [pdbid 4GIH] equilibration at lambda 0 simulated in GROMOS.

Thermodynamic integration of ligand 325820 to 325839 (atb molid) in complex with a Tyrosine Kinase 2 (Tyk2) protein [pdbid 4GIH] equilibration at lambda 0 simulated in GROMOS.

Thermodynamic integration of ligand 325820 to 325835 (atb molid) in complex with a Tyrosine Kinase 2 (Tyk2) protein [pdbid 4GIH] equilibration at lambda 0 simulated in GROMOS.

Thermodynamic integration of ligand 325820 to 325822 (atb molid) in complex with a Tyrosine Kinase 2 (Tyk2) protein [pdbid 4GIH] equilibration at lambda 0 simulated in GROMOS.

Hen egg-white lysozyme protein with GROMOS 45A4 in GROMOS (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 1AKI, URL:...

A lipid bilayer consisting of 512 D6PC molecules. Initiated from a smaller 128-lipid DLPC equilibrated bilayer with trimmed tails. Pore spontaneously form during the simulation.

Hen egg-white lysozyme protein with GROMOS 54A7 in GROMOS (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 1AKI, URL:...

Hen egg-white lysozyme protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 1AKI, URL:...

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 2 of 2).

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 1 of 2).

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 3 of 3).

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 2 of 3).

Alpha-helical peptide YGG with GROMOS 54A7 in GROMOS (replicate 1 of 3).

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 2 of 2).

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 1 of 2).

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 3 of 3).

Alpha-helical peptide YGA with GROMOS 54A7 in GROMOS (replicate 2 of 3).