| NCIPLOT4: fast, robust, and quantitative analysis of noncovalent interactions RA Boto, F Peccati, R Laplaza, C Quan, A Carbone, JP Piquemal, ... Journal of Chemical Theory and Computation 16 (7), 4150-4158, 2020 | 183 | 2020 |
| Machine intelligence for chemical reaction space P Schwaller, AC Vaucher, R Laplaza, C Bunne, A Krause, C Corminboeuf, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (5), e1604, 2022 | 90* | 2022 |
| NCIPLOT and the analysis of noncovalent interactions using the reduced density gradient R Laplaza, F Peccati, R A. Boto, C Quan, A Carbone, JP Piquemal, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (2), e1497, 2021 | 88 | 2021 |
| Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts S Gallarati, R Fabregat, R Laplaza, S Bhattacharjee, MD Wodrich, ... Chemical Science 12 (20), 6879-6889, 2021 | 69 | 2021 |
| Proteasome versus thioredoxin reductase competition as possible biological targets in antitumor mixed thiolate-dithiocarbamate gold (III) complexes J Quero, S Cabello, T Fuertes, I Mármol, R Laplaza, V Polo, MC Gimeno, ... Inorganic Chemistry 57 (17), 10832-10845, 2018 | 39 | 2018 |
| Genetic optimization of homogeneous catalysts R Laplaza, S Gallarati, C Corminboeuf Chemistry‐Methods 2 (6), e202100107, 2022 | 24 | 2022 |
| OSCAR: an extensive repository of chemically and functionally diverse organocatalysts S Gallarati, P van Gerwen, R Laplaza, S Vela, A Fabrizio, C Corminboeuf Chemical Science 13 (46), 13782-13794, 2022 | 17 | 2022 |
| Steric clash in real space: biphenyl revisited R Laplaza, RA Boto, J Contreras-García, MM Montero-Campillo Physical Chemistry Chemical Physics 22 (37), 21251-21256, 2020 | 17 | 2020 |
| The “Inverted Bonds” Revisited: Analysis of “In Silico” Models and of [1.1. 1] Propellane by Using Orbital Forces R Laplaza, J Contreras‐Garcia, F Fuster, F Volatron, P Chaquin Chemistry–A European Journal 26 (30), 6839-6845, 2020 | 15 | 2020 |
| Redox-and ligand binding-dependent conformational ensembles in the human apoptosis-inducing factor regulate its pro-life and cell death functions R Villanueva, S Romero-Tamayo, R Laplaza, J Martínez-Olivan, ... Antioxidants & Redox Signaling 30 (18), 2013-2029, 2019 | 15 | 2019 |
| A bonding evolution theory study on the catalytic Noyori hydrogenation reaction J Munárriz, R Laplaza, V Polo Molecular Physics 117 (9-12), 1315-1324, 2019 | 15 | 2019 |
| cell2mol: encoding chemistry to interpret crystallographic data S Vela, R Laplaza, Y Cho, C Corminboeuf npj Computational Materials 8 (1), 188, 2022 | 14 | 2022 |
| Overcoming distrust in solid state simulations: Adding error bars to computational data F Peccati, R Laplaza, J Contreras-García The Journal of Physical Chemistry C 123 (8), 4767-4772, 2019 | 13 | 2019 |
| Constructing and interpreting volcano plots and activity maps to navigate homogeneous catalyst landscapes R Laplaza, S Das, MD Wodrich, C Corminboeuf Nature Protocols 17 (11), 2550-2569, 2022 | 12 | 2022 |
| A first step towards quantum energy potentials of electron pairs J Munárriz, R Laplaza, AM Pendás, J Contreras-García Physical Chemistry Chemical Physics 21 (8), 4215-4223, 2019 | 12 | 2019 |
| Localizing electron density errors in density functional theory R Laplaza, V Polo, J Contreras-García Physical Chemistry Chemical Physics 21 (37), 20927-20938, 2019 | 12 | 2019 |
| The (not so) simple prediction of enantioselectivity–a pipeline for high-fidelity computations R Laplaza, JG Sobez, MD Wodrich, M Reiher, C Corminboeuf Chemical Science 13 (23), 6858-6864, 2022 | 10 | 2022 |
| Mapping active site geometry to activity in immobilized frustrated Lewis pair catalysts S Das, R Laplaza, JT Blaskovits, C Corminboeuf Angewandte Chemie 134 (32), e202202727, 2022 | 9 | 2022 |
| Harvesting the fragment-based nature of bifunctional organocatalysts to enhance their activity S Gallarati, R Laplaza, C Corminboeuf Organic Chemistry Frontiers 9 (15), 4041-4051, 2022 | 9 | 2022 |
| Orbital energies and nuclear forces in DFT: Interpretation and validation R Laplaza, C Cardenas, P Chaquin, J Contreras‐García, PW Ayers Journal of Computational Chemistry 42 (5), 334-343, 2021 | 8 | 2021 |
Julia Contreras-GarcíaCNRS & Sorbonne UniversitéVerified email at lct.jussieu.fr
