PMC:7605337 / 14768-14989
Annnotations
LitCovid-PD-FMA-UBERON
ensemble under periodic boundary conditions and harmonic restraints on the backbone and side-chain atoms of the complex.38 A velocity rescaling thermostat was used in all other steps of simulation. In the next step, we p
LitCovid-PD-CLO
ensemble under periodic boundary conditions and harmonic restraints on the backbone and side-chain atoms of the complex.38 A velocity rescaling thermostat was used in all other steps of simulation. In the next step, we p
LitCovid-PD-CHEBI
ensemble under periodic boundary conditions and harmonic restraints on the backbone and side-chain atoms of the complex.38 A velocity rescaling thermostat was used in all other steps of simulation. In the next step, we p