MD-A00C7K

Small siRNA-loaded LNP, constant pH MD at pH 6 (with solvent)

Warnings

Cross-PBC contacts detected in 60/68 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 9 has the most atoms in contact (118). Closest pairs in this frame: S6162(BUF).BUF (index 37988) — C6581(DSPC).H12A (index 61805) (2.67 Å) M337(MC3T).H90R (index 9174) — S5825(BUF).BUF (index 37651) (2.77 Å) M488(MC3T).HN23 (index 28107) — S6152(BUF).BUF (index 37978) (3.01 Å) S6101(BUF).BUF (index 37927) — C6601(DSPC).H13B (index 64634) (3.03 Å) M337(MC3T).H29R (index 9172) — S5825(BUF).BUF (index 37651) (3.05 Å) etc. (93 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 60/68 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 9 has the most atoms in contact (118). Closest pairs in this frame: S6162(BUF).BUF (index 37988) — C6581(DSPC).H12A (index 61805) (2.67 Å) M337(MC3T).H90R (index 9174) — S5825(BUF).BUF (index 37651) (2.77 Å) M488(MC3T).HN23 (index 28107) — S6152(BUF).BUF (index 37978) (3.01 Å) S6101(BUF).BUF (index 37927) — C6601(DSPC).H13B (index 64634) (3.03 Å) M337(MC3T).H29R (index 9172) — S5825(BUF).BUF (index 37651) (3.05 Å) etc. (93 pairs)

Force field

Water modelTIP3P

Box type

0residues