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MIND - AIMD
MIND
MIND-QM/MM Docking
Water Pharmacophore
MIND - AIMD
Globular AIMD
Membrane AIMD
PPI AIMD
LNP AIMD
PROTAC AIMD
MIND - BAR
Globular/Membrane
Flowchart
Globular/Membrane
Platform
▼
MIND
MIND-QM/MM Docking
Water Pharmacophore
MIND - AIMD
Globular AIMD
Membrane AIMD
PPI AIMD
LNP AIMD
PROTAC AIMD
MIND - BAR
for interaction free energy
Case Study for MIND - BAR
Platform
>
MIND - AIMD
>
Globular/Membrane
MIND - AIMD
From The Mind Come Drugs of the Future
Flowchart
Globular/Membrane
Globular/Membrane - AIMD platform
STEP 01
Preparing complex and topology
STEP 01
Preparing complex and topology
STEP 02
Solvating & Equilibrating a Protein
Preparing 3D target protein from X-ray, NMR, or Cryo-EM
Preparing 3D non-crystalized target protein Using Alpha-fold2 (Homology)
STEP 02
Orienting & Packing Bilayer/Micelle
STEP 03
Molecular Dynamics Simulation
MD Simulations of the receptor-ligand complex for optimizing new drug in biosimilar environment
STEP 03
Molecular Dynamics Simulation
STEP 04
Automated Post-MD Analysis