Items where contributor is "Wahl, Joël"
2019Wahl, Joel and Smiesko, Martin. (2019) Assessing the Predictive Power of Relative Binding Free Energy Calculations for Test Cases Involving Displacement of Binding Site Water Molecules. Journal of chemical information and modeling, 59 (2). pp. 754-765. 2018Wahl, Joel and Smieško, Martin. (2018) Thermodynamic Insight into Effects of Water Displacement and Rearrangement upon Ligand Modification using Molecular Dynamics Simulations. ChemMedChem, 13 (13). pp. 1325-1335. Wahl, Joel and Smieško, Martin. (2018) Endocrine Disruption at the Androgen Receptor: Employing Molecular Dynamics and Docking for Improved Virtual Screening and Toxicity Prediction. International journal of molecular sciences, 19 (6). p. 1784. |
