MD-A00C7N

Small siRNA-loaded LNP, constant pH MD at pH 9 (with solvent)

Warnings

Cross-PBC contacts detected in 70/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 3 has the most atoms in contact (63). Closest pairs in this frame: S6204(BUF).BUF (index 38030) — C6613(DSPC).H14B (index 66342) (3.12 Å) S5869(BUF).BUF (index 37695) — C6323(DPG2).H5 (index 39912) (3.21 Å) M282(MC3T).HN12 (index 2146) — S6315(BUF).BUF (index 38141) (3.65 Å) S5963(BUF).BUF (index 37789) — S6195(BUF).BUF (index 38021) (3.65 Å) S6204(BUF).BUF (index 38030) — C6613(DSPC).H13C (index 66339) (3.70 Å) etc. (44 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 70/79 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 3 has the most atoms in contact (63). Closest pairs in this frame: S6204(BUF).BUF (index 38030) — C6613(DSPC).H14B (index 66342) (3.12 Å) S5869(BUF).BUF (index 37695) — C6323(DPG2).H5 (index 39912) (3.21 Å) M282(MC3T).HN12 (index 2146) — S6315(BUF).BUF (index 38141) (3.65 Å) S5963(BUF).BUF (index 37789) — S6195(BUF).BUF (index 38021) (3.65 Å) S6204(BUF).BUF (index 38030) — C6613(DSPC).H13C (index 66339) (3.70 Å) etc. (44 pairs)

Force field

Water modelTIP3P

Box type