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Molecular Dynamics of DNA with copper-complex. Minor Groove
rosgalindo
78 views
20 ns of Molecular Dynamics using AMBER ff99SB force field. poly-d(GCGCGCGCGC) chain with copper-complex. The drug starts at the minor groove and the Cu atom coordinates wi...
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Molecular Dynamics of DNA with copper-complex.
rosgalindo
88 views
20 ns of Molecular Dynamics using AMBER ff99SB force field. poly(AAAAAAAAAA) chaing with copper-complex. The drug starts at the mayor groove and slowly gets fully solvate...
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40-unit peptid (conus)
rosgalindo
56 views
40-unit peptid folding using AMBER11 with ff99SB force-field. Heat for 50ps and equilibration for 1 ns.
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DNA chain with Copper complex - detail
rosgalindo
244 views
a 10 base-pair sequence of B-DNA (AAAAAAAAAA) with a copper complex intercalated in the base 5. AMBER Molecular dynamics simulation using f99 Force Field.
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DNA chain with Copper complex
rosgalindo
255 views
a 10 base-pair sequence of B-DNA (AAAAAAAAAA) with a copper complex intercalated in the base 5. AMBER Molecular dynamics simulation using f99 Force Field.
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Molecular Dynamics: copper complex plus adenine (5-20)
rosgalindo
93 views
500ps molecular dynamics of 5 copper-complex + 20 adenine molecules in a 10A explicit water box (TIP3P). Simulation done with AMBER10 (ff03 force field). Waters like dots.
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Molecular Dynamics: copper complex plus adenine (5-5) waters like dots
rosgalindo
71 views
500ps molecular dynamics of 5 copper-complex + 5 adenine molecules in a 8A explicit water box (TIP3P). Simulation done with AMBER10 (ff03 force field). Waters like dots.
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Molecular Dynamics: copper complex plus adenine (5-5)
rosgalindo
138 views
500ps molecular dynamics of 5 copper-complex + 5 adenine molecules in a 8A explicit water box (TIP3P). Simulation done with AMBER10 (ff03 force field)
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Molecular Dynamics: adenine in water
rosgalindo
504 views
8ns molecular dynamics of 110 adenine molecules in a 12A explicit water box (TIP3P). Simulation done with AMBER10 (ff03 force field)
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copper complex plus adenine in water
rosgalindo
148 views
Molecular Dynamics sumulation run 1. copper complex + adenine + water. AMBER MD program and ff03 force field
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