FlexAppeal molecular dynamics, prepared and analysed

FlexAppeal

Runs

Every results file kept here. Open one for the same panels an upload gets: the grade, the binding site, the whole system, and the trajectory in the viewer.

Run Length Packed Added
lysozyme_benzene_100ns committed example 路 has a ligand 路 standard tier 100 ns 500 frames 2026-10-10 14:26
渭-opioid receptor with BU72, in POPC (200 ps verification) end-to-end verification, built in the Prepare tab 路 has a ligand 路 standard tier 0.200 ns 20 frames 2026-10-14 21:21
M2 muscarinic receptor with QNB, in POPC (200 ps verification) end-to-end verification, built in the Prepare tab 路 has a ligand 路 standard tier 0.200 ns 20 frames 2026-10-14 21:21
GLP-1 receptor with orforglipron, in POPC (class B, PDB 6XOX) (200 ps verification) end-to-end verification, built in the Prepare tab 路 has a ligand 路 standard tier 0.200 ns 20 frames 2026-10-14 21:21
EGFR kinase with erlotinib (200 ps verification) end-to-end verification, built in the Prepare tab 路 has a ligand 路 standard tier 0.200 ns 20 frames 2026-10-14 21:21
CB1 cannabinoid receptor with taranabant, in POPC (200 ps verification) end-to-end verification, built in the Prepare tab 路 has a ligand 路 standard tier 0.200 ns 20 frames 2026-10-14 21:21
尾2 adrenergic receptor with carazolol, in POPC (200 ps verification) end-to-end verification, built in the Prepare tab 路 has a ligand 路 standard tier 0.200 ns 20 frames 2026-10-14 21:21
beta2 adrenergic receptor, inactive start with carazolol reference-state build 路 has a ligand 路 standard tier 50 ns 500 frames 2026-10-14 03:39
beta2 adrenergic receptor, active start reference-state build 路 standard tier 50 ns 499 frames 2026-10-14 00:56
ABL1 kinase, inactive start with imatinib reference-state build 路 has a ligand 路 standard tier 50 ns 500 frames 2026-10-14 03:19
ABL1 kinase, active start (DFG-in) reference-state build 路 standard tier 50 ns 500 frames 2026-10-14 00:38
Adenosine A2A receptor with ZM-241385, in POPC (200 ps verification) end-to-end verification, built in the Prepare tab 路 has a ligand 路 standard tier 0.200 ns 20 frames 2026-10-14 21:21