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| 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-Jul-2015 | Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of 𝛿-Bi2O3 | Galván, D.H.; Núñez-González, R.; Rangel, R.; Alemany i Cahner, Pere; Posada-Amarillas, A. |
| 17-Jan-2018 | A Multistep docking and scoring protocol for congeneric series: Implementation on kinase DFG-out type II inhibitors | Granadino Roldán, José M.; Garzón, Andrés; Gómez Gutiérrez, Patrícia; Pasamontes Funes, Ignacio; Tomás Belenguer, Maria Santos; Rubio Martínez, Jaime |
| 5-Apr-2018 | Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear Complexes | Costa Sala, Ramon; Reta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 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 |
| 12-Nov-2018 | Effects of temperature on the shape and symmetry of molecules and solids | Carreras Conill, Abel; Bernuz, Efrem; Marugan, Xavier; Llunell Marí, Miquel; Alemany i Cahner, Pere |
| 30-Apr-2010 | Apparent Scarcity of Low-Density Polymorphs of Inorganic Solids | Zwijnenburg, M. A.; Illas i Riera, Francesc; Bromley, Stefan Thomas |
| 3-Sep-2019 | 'Aggregation-Induced Emission'' of Transition Metal Compounds: Design, Mechanistic Insights, and Applications | Alam, Parvej; Climent Biescas, Claudia; Alemany i Cahner, Pere; Laskar, Inamur Rahaman |
| 21-Mar-2019 | Fermi surface properties of the bifunctional organic metal κ-(BETS)2Mn[N(CN)2]3 near the metal-insulator transition | Zverev, V.N.; Biberacher, W.; Oberbauer, S.; Sheikin, I.; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Kartsovnik M.V. |
| 14-Feb-2018 | Evaluation of novel platinum(II) based AIE compound-encapsulated mesoporous silica nanoparticles for cancer theranostic application | Pasha, Sheik Saleem; Fageria, Leena; Climent Biescas, Claudia; Rath, Nigam P.; Alemany i Cahner, Pere; Chowdhury, Rajdeep; Roy, Aniruddha; Laskar, Inamur Rahaman |
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