QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: [email protected] on June 15, 2023, 11:41

Title: Solution calculation in quantumATK
Post by: [email protected] on June 15, 2023, 11:41

How to take into account the effect of the solution on the interaction energy of the carrier with the drug (within the framework of the PCM, COSMO or similar model) in  QuantumATK-R-2020.09-SP1 version?