58 datasets found

Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, neutral pH, simulated for 700 ns

Pediocin PA-1 antimicrobial peptide in SPC water, 100 mM NaCl, 298 K, low-pH protonation state (LYSH and HISH), simulated for 700 ns

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...

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

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...

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...

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...

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 (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 (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 (PCMX) molecules in water with a DIPC lipid bilayer, 100 nM NaCl, simulated for 400 ns, initial 150 ns contained boundary wall to prevent periodic interaction....

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 (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 (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 (P-TCS) in water with a POPC lipid bilayer, 100 nM NaCl, simulated for 200 ns

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 (P-TCS) in water with a DIPC lipid bilayer, 100 nM NaCl, simulated for 200 ns

1x M-Triclosan (M-TCS) in water with a POPC lipid bilayer, 100 nM NaCl, simulated for 200 ns

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 (M-TCS) in water with a DIPC lipid bilayer, 100 nM NaCl, simulated for 200 ns