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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 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 1/3
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 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 1/3
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... -
56x Triclosan molecules with a POPC lipid bilayer 1/3
56 molecules of triclosan (28 (M)-triclosan and 28 (P)-triclosan) in water with a POPC lipid bilayer, 100 nM NaCl, simulated for 450 ns, initial 120 ns contained boundary wall... -
56x Triclosan molecules with a PDPC lipid bilayer 1/3
56 molecules of triclosan (28 (M)-triclosan and 28 (P)-triclosan) in water with a PDPC lipid bilayer, 100 nM NaCl, simulated for 450 ns, initial 150 ns contained boundary wall... -
56x Triclosan molecules with a DIPC lipid bilayer 1/3
56 molecules of triclosan (28 (M)-triclosan and 28 (P)-triclosan) in water with a DIPC lipid bilayer, 100 nM NaCl, simulated for 450 ns, initial 150 ns contained boundary wall... -
56x Chloroxylenol molecules with a PCMSC lipid bilayer 1/3
56x Chloroxylenol (PCMX) molecules in water with a PCMSC lipid bilayer, 100 nM NaCl, simulated for 400 ns,, initial 150 ns contained boundary wall to prevent periodic... -
56x Chloroxylenol molecules with a POPC lipid bilayer 1/3
56x Chloroxylenol (PCMX) molecules in water with a POPC lipid bilayer, 100 nM NaCl, simulated for 350 ns, initial 120 ns contained boundary wall to prevent periodic interaction.... -
56x Chloroxylenol molecules with a DIPC lipid bilayer 1/3
56x Chloroxylenol (PCMX) molecules in water with a DIPC lipid bilayer, 100 nM NaCl, simulated for 490 ns, initial 250 ns contained boundary wall to prevent periodic interaction.... -
150x Chloroxylenol molecules with a POPC lipid bilayer 1/3
150x Chloroxylenol (PCMX) molecules in water with a POPC lipid bilayer, 100 nM NaCl, simulated for 800 ns, initial 220 ns contained boundary wall to prevent periodic... -
150x Chloroxylenol molecules with a PDPC lipid bilayer 1/3
150x Chloroxylenol (PCMX) molecules in water with a PDPC lipid bilayer, 100 nM NaCl, simulated for 800 ns, initial 220 ns contained boundary wall to prevent periodic... -
150x Chloroxylenol molecules with a DIPC lipid bilayer 1/3
150x Chloroxylenol (PCMX) molecules in water with a DIPC lipid bilayer, 100 nM NaCl, simulated for 800 ns, initial 220 ns contained boundary wall to prevent periodic... -
1x P-Triclosan molecule with a POPC lipid bilayer 1/3
1x P-Triclosan (P-TCS) in water with a POPC lipid bilayer, 100 nM NaCl, simulated for 200 ns -
1x P-Triclosan molecule with a PCMSC lipid bilayer 1/3
1x P-Triclosan (P-TCS) in water with a PCMSC lipid bilayer (PCMSC is equivalent to POPC wherein the double bound in Ole is methylenated), 100 nM NaCl, simulated for 200 ns -
1x P-Triclosan molecule with a DIPC lipid bilayer 1/3
1x P-Triclosan (P-TCS) in water with a DIPC lipid bilayer, 100 nM NaCl, simulated for 200 ns -
1x M-Triclosan molecule with a POPC lipid bilayer 1/3
1x M-Triclosan (M-TCS) in water with a POPC lipid bilayer, 100 nM NaCl, simulated for 200 ns -
1x M-Triclosan molecule with a PCMSC lipid bilayer 1/3
1x M-Triclosan (M-TCS) in water with a PCMSC lipid bilayer (PCMSC is equivalent to POPC wherein the double bound in Ole is methylenated), 100 nM NaCl, simulated for 200 ns -
1x M-Triclosan molecule with a DIPC lipid bilayer 1/3
1x M-Triclosan (M-TCS) in water with a DIPC lipid bilayer, 100 nM NaCl, simulated for 200 ns
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