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CYP199A4-F182L in complex with 4-phenylbenzoic acid
CYP199A4-F182L in complex with 4-phenylbenzoic acid with FF14SB+TIP3P in AMBER (replicate 1 of 4). https://doi.org/10.1002/chem.202201895 -
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 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 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 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 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 2 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 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 3WP5, URL:... -
PTS system N-acetylgalactosamine-specific IIB component 1
PTS system N-acetylgalactosamine-specific IIB component 1 protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB... -
Plectasin
Plectasin protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 3E7U, URL: https://www.rcsb.org/structure/3E7U -
Chymotrypsin inhibitor 2 CI-2
Chymotrypsin inhibitor 2 CI-2 protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 3CI2, URL:... -
Protein spitz
Protein spitz with GROMOS 54A7 in AMBER (replicate 3 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 3CA7, URL: https://www.rcsb.org/structure/3CA7 -
Protein spitz
Protein spitz with GROMOS 54A7 in AMBER (replicate 2 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 3CA7, URL: https://www.rcsb.org/structure/3CA7 -
Protein spitz
Protein spitz with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 3CA7, URL: https://www.rcsb.org/structure/3CA7 -
Beta-2-microglobulin
Beta-2-microglobulin protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 2YXF, URL:... -
TRIM5-CypA
TRIM5-CypA protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 2WLW, URL: https://www.rcsb.org/structure/2WLW -
Tenascin
Tenascin protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 2RB8, URL: https://www.rcsb.org/structure/2RB8 -
Peptidyl-tRNA hydrolase
Peptidyl-tRNA hydrolase protein with GROMOS 54A7 in AMBER (replicate 1 of 3). Initial structure obtained from the Protein Data Bank (PDB). PDB ID: 2PTH, URL:...
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