MD-A00C7I

Small siRNA-loaded LNP, constant pH MD at pH 4 (with solvent)

Warnings

Cross-PBC contacts detected in 69/74 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 5 has the most atoms in contact (103). Closest pairs in this frame: M267(MC3T).HN12 (index 256) — S5847(BUF).BUF (index 37673) (2.71 Å) S5857(BUF).BUF (index 37683) — S6276(BUF).BUF (index 38102) (3.12 Å) M539(MC3T).HN13 (index 34529) — S6216(BUF).BUF (index 38042) (3.26 Å) S5810(BUF).BUF (index 37636) — S5854(BUF).BUF (index 37680) (3.26 Å) S5971(BUF).BUF (index 37797) — C6329(DPG2).H19 (index 41439) (3.28 Å) etc. (80 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 69/74 frames. Non-PBC molecules appear to contact each other across periodic boundaries. Frame 5 has the most atoms in contact (103). Closest pairs in this frame: M267(MC3T).HN12 (index 256) — S5847(BUF).BUF (index 37673) (2.71 Å) S5857(BUF).BUF (index 37683) — S6276(BUF).BUF (index 38102) (3.12 Å) M539(MC3T).HN13 (index 34529) — S6216(BUF).BUF (index 38042) (3.26 Å) S5810(BUF).BUF (index 37636) — S5854(BUF).BUF (index 37680) (3.26 Å) S5971(BUF).BUF (index 37797) — C6329(DPG2).H19 (index 41439) (3.28 Å) etc. (80 pairs)

Force field

Water modelTIP3P

Box type

0residues