Search
Add filters:
Use filters to refine the search results.
Results 1-5 of 5 (Search time: 0.003 seconds).
- previous
- 1
- next
Item hits:
| Issue Date | Title | Author(s) |
|---|---|---|
| 12-Mar-2019 | Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors | Granadino Roldán, José M.; Mey, Antonia S. J. S.; Pérez González, Juan J.; Bosisio, Stefano; Rubio Martínez, Jaime; Michel, Julien |
| 1-Oct-2016 | Assessment of the Sampling Performance of Multiple-Copy Dynamics versus a Unique Trajectory | Pérez González, Juan J.; Santos Tomas, M.; Rubio Martínez, Jaime |
| 21-Aug-2019 | Interplay between the gentlest ascent dynamics method and conjugate directions to locate transition states | Bofill i Villà, Josep M.; Ribas Ariño, Jordi; Valero Montero, Rosendo; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang |
| 2-Apr-2015 | Conditional Born-Oppenheimer dynamics: quantum dynamics simulations for the model porphine | Albareda, Guillermo; Bofill i Villà, Josep M.; Tavernelli, Ivano; Huarte Larrañaga, Fermín; Illas i Riera, Francesc; Rubio, Angel |
| 2016 | The variational nature of the gentlest ascent dynamics and the relation of a variational minimum of a curve and the minimum energy path | Bofill i Villà, Josep M.; Quapp, Wolfgang |
Discover
Subject