Title | Journal | Journal Categories | Citations | Publication Date |
---|---|---|---|---|
On the Value of Using 3D Shape and Electrostatic Similarities in Deep Generative Methods | Journal of Chemical Information and Modeling |
| 11 | 2022 |
Quantum and Classical Evaluations of Carboxylic Acid Bioisosteres: From Capped Moieties to a Drug Molecule | ACS Omega |
| 3 | 2022 |
Bioisosteres in drug discovery: focus on tetrazole | Future Medicinal Chemistry |
| 46 | 2020 |
Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape | Journal of Chemical Information and Modeling |
| 29 | 2019 |
Experimental free ligand conformations: a missing link in structure-based drug discovery | Future Medicinal Chemistry |
| 22 | 2019 |