| Title : Toward Accurate pH-Dependent Binding Constant Predictions Using Molecular Docking and Constant-pH MD Calculations - Yousef_2025_J.Chem.Theory.Comput__ |
| Author(s) : Yousef MJ , Oliveira NFB , Vitorino JNM , Reis P , Draczkowski P , Maj M , Jozwiak K , Machuqueiro M |
| Ref : J Chem Theory Comput , : , 2025 |
| Abstract : |
| PubMedSearch : Yousef_2025_J.Chem.Theory.Comput__ |
| PubMedID: 39979266 |