Can conformational change be described by only a few normal modes? P Petrone, VS Pande Biophysical journal 90 (5), 1583-1593, 2006 | 181 | 2006 |
Rethinking molecular similarity: comparing compounds on the basis of biological activity PM Petrone, B Simms, F Nigsch, E Lounkine, P Kutchukian, A Cornett, ... ACS chemical biology 7 (8), 1399-1409, 2012 | 168 | 2012 |
Side-chain recognition and gating in the ribosome exit tunnel PM Petrone, CD Snow, D Lucent, VS Pande Proceedings of the National Academy of Sciences 105 (43), 16549-16554, 2008 | 101 | 2008 |
MHC–peptide binding is assisted by bound water molecules PM Petrone, AE Garcia Journal of molecular biology 338 (2), 419-435, 2004 | 97 | 2004 |
Biodiversity of small molecules–a new perspective in screening set selection PM Petrone, AM Wassermann, E Lounkine, P Kutchukian, B Simms, ... Drug discovery today 18 (13-14), 674-680, 2013 | 65 | 2013 |
Normal mode partitioning of Langevin dynamics for biomolecules CR Sweet, P Petrone, VS Pande, JA Izaguirre The Journal of chemical physics 128 (14), 2008 | 47 | 2008 |
State-of-the-art methods for exposure-health studies: results from the exposome data challenge event L Maitre, JB Guimbaud, C Warembourg, N Güil-Oumrait, PM Petrone, ... Environment international 168, 107422, 2022 | 45 | 2022 |
Prediction of amyloid pathology in cognitively unimpaired individuals using voxel-wise analysis of longitudinal structural brain MRI PM Petrone, A Casamitjana, C Falcon, M Artigues, G Operto, R Cacciaglia, ... Alzheimer's Research & Therapy 11, 1-13, 2019 | 36 | 2019 |
HtrA1 activation is driven by an allosteric mechanism of inter-monomer communication AC Cabrera, E Melo, D Roth, A Topp, F Delobel, C Stucki, C Chen, ... Scientific reports 7 (1), 14804, 2017 | 31 | 2017 |
MRI-based screening of preclinical Alzheimer’s disease for prevention clinical trials A Casamitjana, P Petrone, A Tucholka, C Falcon, S Skouras, ... Journal of Alzheimer's Disease 64 (4), 1099-1112, 2018 | 26 | 2018 |
Atomic-scale characterization of conformational changes in the preQ1 riboswitch aptamer upon ligand binding PM Petrone, J Dewhurst, R Tommasi, L Whitehead, AK Pomerantz Journal of Molecular Graphics and Modelling 30, 179-185, 2011 | 26 | 2011 |
Aggregated compound biological signatures facilitate phenotypic drug discovery and target elucidation A Cortes Cabrera, D Lucena-Agell, M Redondo-Horcajo, I Barasoain, ... ACS Chemical Biology 11 (11), 3024-3034, 2016 | 22 | 2016 |
Chemotography for multi-target SAR analysis in the context of biological pathways E Lounkine, P Kutchukian, P Petrone, JW Davies, M Glick Bioorganic & Medicinal Chemistry 20 (18), 5416-5427, 2012 | 22 | 2012 |
Optimal HTS fingerprint definitions by using a desirability function and a genetic algorithm A Cortes Cabrera, PM Petrone Journal of chemical information and modeling 58 (3), 641-646, 2018 | 13 | 2018 |
Strong off-target antibody reactivity to malarial antigens induced by RTS, S/AS01E vaccination is associated with protection D Macià, JJ Campo, G Moncunill, C Jairoce, AJ Nhabomba, M Mpina, ... JCI insight 7 (10), 2022 | 10 | 2022 |
Projection to latent spaces disentangles pathological effects on brain morphology in the asymptomatic phase of alzheimer's disease A Casamitjana, P Petrone, JL Molinuevo, JD Gispert, V Vilaplana Frontiers in neurology 11, 648, 2020 | 8 | 2020 |
The impact of urban configuration types on urban heat islands, air pollution, CO2 emissions, and mortality in Europe: a data science approach T Iungman, S Khomenko, EP Barboza, M Cirach, K Gonçalves, P Petrone, ... The Lancet Planetary Health 8 (7), e489-e505, 2024 | 2 | 2024 |
Shared latent structures between imaging features and biomarkers in early stages of Alzheimer's disease: a predictive study A Casamitjana, P Petrone, JL Molinuevo, JD Gispert, V Vilaplana IEEE Journal of Biomedical and Health Informatics 24 (2), 365-376, 2019 | 2 | 2019 |
Characteristic brain volumetric changes in the AD preclinical signature P Petrone, A Casamitjana Díaz, C Falcón, M Artigues, G Operto, ... Alzheimer's & dementia 14 (7), 1235-1235, 2018 | 2 | 2018 |
Compound biological signatures facilitate phenotypic screening and target elucidation AC Cabrera, D Lucena-Agell, M Redondo-Horcajo, I Barasoain, F Diaz, ... bioRxiv, 041947, 2016 | 2 | 2016 |