MD-A00C7K

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

Warnings

Cross-PBC contacts detected in 72/78 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: S6047(BUF).BUF (index 37873) — S6296(BUF).BUF (index 38122) (2.89 Å) S5750(BUF).BUF (index 37576) — C6590(DSPC).H6S (index 63124) (2.91 Å) S5831(BUF).BUF (index 37657) — S6086(BUF).BUF (index 37912) (3.17 Å) M481(MC3T).H28S (index 27314) — S5750(BUF).BUF (index 37576) (3.26 Å) M332(MC3T).H82R (index 8498) — S6267(BUF).BUF (index 38093) (3.27 Å) etc. (72 pairs)

Force field

Water modelTIP3P

Box type

Warnings

Cross-PBC contacts detected in 72/78 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: S6047(BUF).BUF (index 37873) — S6296(BUF).BUF (index 38122) (2.89 Å) S5750(BUF).BUF (index 37576) — C6590(DSPC).H6S (index 63124) (2.91 Å) S5831(BUF).BUF (index 37657) — S6086(BUF).BUF (index 37912) (3.17 Å) M481(MC3T).H28S (index 27314) — S5750(BUF).BUF (index 37576) (3.26 Å) M332(MC3T).H82R (index 8498) — S6267(BUF).BUF (index 38093) (3.27 Å) etc. (72 pairs)

Force field

Water modelTIP3P

Box type