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Annealing of ~12.5 nm thick vacuum-deposited organic thin film of 5 wt% Ir(pp...
This trajectory begins from a vacuum-deposition simulation of 5 wt% Ir(ppy)2(acac):CBP on graphene that has just reached an approximate film thickness of 12.5 nm (replica 1 of... -
Annealing of ~12.5 nm thick vacuum-deposited organic thin film of 5 wt% Ir(pp...
This trajectory begins from a vacuum-deposition simulation of 5 wt% Ir(ppy)2(acac):CBP on graphene that has just reached an approximate film thickness of 12.5 nm (replica 1 of... -
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 -
1x pediocin PA-1 in water at pH 7 and 298 K 3/3
Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, neutral pH, simulated for 700 ns -
1x pediocin PA-1 in water at pH 7 and 298 K 2/3
Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, neutral pH, simulated for 700 ns -
1x pediocin PA-1 in water at pH 7 and 298 K 1/3
Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, neutral pH, simulated for 700 ns -
1x pediocin PA-1 in water at pH 7 and 323 K 2/2
Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 323 K, neutral pH, simulated for 700 ns -
1x pediocin PA-1 in water at pH 7 and 323 K 1/2
Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 323 K, neutral pH, simulated for 700 ns -
1x pediocin PA-1 in water at pH 5 and 298 K 3/3
Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, low-pH protonation state (LYSH and HISH), simulated for 700 ns -
1x pediocin PA-1 in water at pH 5 and 298 K 2/3
Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, low-pH protonation state (LYSH and HISH), simulated for 700 ns -
1x pediocin PA-1 in water at pH 5 and 298 K 1/3
Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, low-pH protonation state (LYSH and HISH), simulated for 700 ns -
1x pediocin PA-1 with a POPC lipid bilayer at pH 5 3/3
Pediocin PA-1 antimicrobial peptide with 512-POPC lipid bilayer in water, 100 mM NaCl, low-pH protonation state (LYSH and HISH), simulated for 400 ns, initial 150 ns contained... -
1x pediocin PA-1 with a POPC lipid bilayer at pH 5 2/3
Pediocin PA-1 antimicrobial peptide with 512-POPC lipid bilayer in water, 100 mM NaCl, low-pH protonation state (LYSH and HISH), simulated for 400 ns, initial 150 ns contained... -
1x pediocin PA-1 with a O3MPC lipid bilayer at pH 5 3/3
Pediocin PA-1 antimicrobial peptide with 512-O3MPC lipid bilayer in water, 100 mM NaCl, low-pH protonation state (LYSH and HISH), simulated for 300 ns -
1x pediocin PA-1 with a O3MPC lipid bilayer at pH 5 2/3
Pediocin PA-1 antimicrobial peptide with 512-O3MPC lipid bilayer in water, 100 mM NaCl, low-pH protonation state (LYSH and HISH), simulated for 300 ns -
1x pediocin PA-1 with a O3MPC lipid bilayer at pH 5 1/3
Pediocin PA-1 antimicrobial peptide with 512-O3MPC lipid bilayer in water, 100 mM NaCl, low-pH protonation state (LYSH and HISH), simulated for 300 ns -
1x pediocin PA-1 with a O2MPC lipid bilayer at pH 5 3/3
Pediocin PA-1 antimicrobial peptide with 512-O2MPC lipid bilayer in water, 100 mM NaCl, low-pH protonation state (LYSH and HISH), simulated for 300 ns, energy files split...
