MD-A00C7J

Small siRNA-loaded LNP, constant pH MD at pH 5 (with solvent)

Warnings

Cross-PBC contacts detected in 68/74 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 3 has the most atoms in contact (98). Closest pairs in this frame: M531(MC3T).H82R (index 33572) — S5734(BUF).BUF (index 37560) (2.84 Å) M461(MC3T).HN21 (index 24703) — S6078(BUF).BUF (index 37904) (3.02 Å) S5737(BUF).BUF (index 37563) — S5772(BUF).BUF (index 37598) (3.16 Å) M320(MC3T).HN11 (index 6933) — S6138(BUF).BUF (index 37964) (3.26 Å) M460(MC3T).HN11 (index 24573) — S5817(BUF).BUF (index 37643) (3.26 Å) etc. (71 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 68/74 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 3 has the most atoms in contact (98). Closest pairs in this frame: M531(MC3T).H82R (index 33572) — S5734(BUF).BUF (index 37560) (2.84 Å) M461(MC3T).HN21 (index 24703) — S6078(BUF).BUF (index 37904) (3.02 Å) S5737(BUF).BUF (index 37563) — S5772(BUF).BUF (index 37598) (3.16 Å) M320(MC3T).HN11 (index 6933) — S6138(BUF).BUF (index 37964) (3.26 Å) M460(MC3T).HN11 (index 24573) — S5817(BUF).BUF (index 37643) (3.26 Å) etc. (71 pairs)

Force field

Water modelTIP3P

Box type