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Hendra virus fusion protein F1/F2 cleavage low pH 1/3
A simulation of the Hendra virus fusion protein [pdbid 5ejb] in water with complete amino acid protonation as to mimic pH 3 in the late endosome/ lysosome and F1/F2 cleavage. -
SARS-CoV-2 fusion protein neutral pH 1/3
A simulation of the SARS-CoV-2 fusion protein [pdbid 6vsb] in water with amino acid protonation as to mimic pH 7 (pre-fusion). -
SARS-CoV-2 fusion protein low pH 1/3
A simulation of the SARS-CoV-2 fusion protein [pdbid 6vsb] in water with complete amino acid protonation as to mimic pH 3 in the late endosome/ lysosome. -
Hen egg-white lysozyme
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:... -
Insulin
Insulin protein with GROMOS DIMER in AMBER (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 5ENA, URL: https://www.rcsb.org/structure/5ENA -
Insulin
Insulin protein with GROMOS DIMER in AMBER (replicate 2 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 5ENA, URL: https://www.rcsb.org/structure/5ENA -
Insulin
Insulin protein with GROMOS DIMER in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 5ENA, URL: https://www.rcsb.org/structure/5ENA -
Insulin
Insulin protein with GROMOS 54A7 in AMBER (replicate 3 of 3). Note that although this protein occurs as a dimer, only one unit was simulated. Initial structure obtained from the... -
Insulin
Insulin protein with GROMOS 54A7 in AMBER (replicate 2 of 3). Note that although this protein occurs as a dimer, only one unit was simulated. Initial structure obtained from the... -
Insulin
Insulin protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Note that although this protein occurs as a dimer, only one unit was simulated. Initial structure obtained from the... -
Protein Sis1
Protein Sis1 with GROMOS 54A7 in AMBER (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4RWU, URL: https://www.rcsb.org/structure/4RWU -
Protein Sis1
Protein Sis1 with GROMOS 54A7 in AMBER (replicate 2 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4RWU, URL: https://www.rcsb.org/structure/4RWU -
Protein Sis1
Protein Sis1 with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4RWU, URL: https://www.rcsb.org/structure/4RWU -
Putative Glutaminyl cyclase
Putative Glutaminyl cyclase protein with GROMOS 54A7 in AMBER (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4MHP, URL:... -
Putative Glutaminyl cyclase
Putative Glutaminyl cyclase protein with GROMOS 54A7 in AMBER (replicate 2 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4MHP, URL:... -
Putative Glutaminyl cyclase
Putative Glutaminyl cyclase protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4MHP, URL:... -
L-ShK toxin
L-ShK toxin protein with GROMOS 54A7 in AMBER (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4LFQ, URL:... -
L-ShK toxin
L-ShK toxin protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 4LFQ, URL:... -
Xylanase CDBFV, mutant E109A
Xylanase CDBFV, mutant E109A protein with GROMOS 54A7 in AMBER (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 3WP5, URL:... -
Xylanase CDBFV, mutant E109A
Xylanase CDBFV, mutant E109A protein with GROMOS 54A7 in AMBER (replicate 2 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 3WP5, URL:...
