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50 articles scientifiques publiés — un praticien à la pointe de la recherche
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The Journal of chemical physics · 2025
Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much of our understanding of chemistry and materials science. Over the last decade or so, machine-learned force fields have transformed atomistic modeling by enabling simulations of ab initio quality over unprecedented time and length scales. However, early machine-learning (ML) force fields have largely been limited by (i) the substantial computational and human effort required to develop and validate potentials for each particular system of interest and (ii) a general lack of transferability from one chemical system to the next. Here, we show that it is possible to create a general-purpose atomistic ML model, trained on a public dataset of moderate size, that is capable of running stable molecular dynamics for a wide range of molecules and materials. We demonstrate the power of the MACE-MP-0 model—and its qualitative and at times quantitative accuracy—on a diverse set of problems in the physical sciences, including properties of solids, liquids, gases, chemical reactions, interfaces, and even the dynamics of a small protein. The model can be applied out of the box as a starting or “foundation” model for any atomistic system of interest and, when desired, can be fine-tuned on just a handful of application-specific data points to reach ab initio accuracy. Establishing that a stable force-field model can cover almost all materials changes atomistic modeling in a fundamental way: experienced users obtain reliable results much faster, and beginners face a lower barrier to entry. Foundation models thus represent a step toward democratizing the revolution in atomic-scale modeling that has been brought about by ML force fields.
Blood · 2025
Abstract In 1974, Van den Berghe et al described a distinct hematologic disorder associated with acquired, interstitial deletion of part of the long arm of chromosome 5. This condition is now classified as myelodysplastic syndrome (MDS) with isolated deletion 5q, or MDS-del(5q). The common deletion region 5q32-5q33 contains several genes and microRNAs whose expression levels are reduced in hematopoietic cells, consistent with the loss of 1 allele. Haploinsufficiency production of multiple gene transcripts, primarily involving CSNK1A1, RPS14, MIR145, and MIR146A, results in myelodysplastic hematopoiesis. Lenalidomide can selectively suppress the del(5q)-mutant clone by promoting proteasomal degradation of casein kinase 1A1 and inducing mutant stem cell failure. However, lenalidomide is not a curative treatment, as almost all patients relapse. Molecular profiling studies have significantly improved our understanding of MDS-del(5q). Only a minority of patients have interstitial deletion 5q as their sole genetic lesion, a condition that is associated with an indolent clinical course. Most patients have co-occurring somatic mutations in myeloid genes, including DNMT3A, TET2, ASXL1, SF3B1, TP53, RUNX1, and CSNK1A1. These comutations have independent effects on leukemic transformation and survival, so genomic profiling is required for implementing a precision management approach to MDS-del(5q) in a clinical setting. Accurate assessment of the TP53 allelic state is crucial for distinguishing MDS-del(5q) from TP53-mutant MDS, a myeloid malignancy characterized by TP53 multihit state and very aggressive clinical course. Genomic profiling is also critical for therapeutic decision-making in patients with MDS-del(5q), particularly for assessing a patient’s eligibility for allogeneic transplantation, which remains the only curative treatment.
Mechanisms of ageing and development · 2025
Source PubMed · Recherche par auteur (homonymes possibles, vérifier l'affiliation).
Urologic oncology · 2026 · Journal Article
Scilipoti P, Zaurito P, Longoni M, Occhi A, et al.
Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology · 2026 · Journal Article
Carrick DM, Tiner JC, Rosenfield SM, Caga-Anan CF, et al.
BJU international · 2026 · Journal Article
Scilipoti P, Zaurito P, Longoni M, Tremolada G, et al.
Journal of endocrinological investigation · 2026 · Published Erratum
Gregorio G, Silvia F, Silvia C, Elena R, et al.
Journal der Deutschen Dermatologischen Gesellschaft = Journal of the German Society of Dermatology : JDDG · 2026 · Journal Article
Edith A, Natalie B, Elena HW, Leo F, et al.
Journal of translational medicine · 2026 · Journal Article
Wang L, Qi H, Zhang Y, Wei G, et al.
Microbiology spectrum · 2026 · Journal Article
Villena-Giménez A, Castiglioni VG, Muñoz-Sánchez JC, Legarda EG, et al.
Frontiers in microbiology · 2026 · Journal Article
Villena-Giménez A, Legarda EG, González R, Castiglioni VG, et al.
Dentistry journal · 2026 · Journal Article
Elena OZ, Natàlia BV, Laura FM, Zoila BL, et al.
PeerJ · 2026 · Journal Article
E J, E Q, Zhou G
European journal of clinical investigation · 2026 · Journal Article
Forlino A, Giordani P, Merla C, Roda S, et al.
Frontiers in veterinary science · 2026 · Journal Article
Virginia S, Gal la F, Elena MM, Sara T, et al.
Journal of endocrinological investigation · 2026 · Journal Article
Gregorio G, Silvia F, Silvia C, Elena R, et al.
Cytometry. Part B, Clinical cytometry · 2026 · Journal Article
Oiuna L, Tatiana V, Daria Y, Viktoriia V, et al.
Cancer · 2026 · Journal Article
Iurlo A, Cattaneo D, Fava C, Castagnetti F, et al.
Journal of the American Medical Informatics Association : JAMIA · 2026 · Journal Article
E T, Li X, Liang J, Ma J, et al.
BJU international · 2026 · Journal Article
Subiela JD, de la Parra I, Taborda J, Medina AA, et al.
iScience · 2025 · Journal Article
Melero I, Castiglioni VG, Olmo-Uceda MJ, Villena-Giménez A, et al.
BMC public health · 2025 · Journal Article
Blanca SR, Elena CÁ, Lourdes T, Laura RP, et al.
Food science & nutrition · 2025 · Journal Article
Elena S, Anjana S, Cat Tuong DT, Chin S, et al.
Journal of the National Cancer Institute · 2025 · Journal Article
Compton SLE, Wopat H, Lopez-Pentecost M, Agurs-Collins T, et al.
International journal of molecular sciences · 2025 · Journal Article
Mierlan OL, Busila C, Amaritei O, Elena D, et al.
Environmental research · 2025 · Journal Article
Wang Y, Ji Y, Ma J, Elena M, et al.
The Journal of chemical physics · 2025 · Journal Article
Batatia I, Benner P, Chiang Y, Elena AM, et al.
Environmental monitoring and assessment · 2025 · Journal Article
Ángel CE, Manuel ML, Elena SM, Demetrio MR, et al.
Bioengineering (Basel, Switzerland) · 2025 · Journal Article
Marco F, Francesco V, Angelo T, Giovanni C, et al.
Blood · 2025 · Journal Article
Roncador M, Bernard E, Hasserjian R, Boultwood J, et al.
Clinical oral implants research · 2025 · Journal Article
Elena C, Nikos M, Iro P, Sara T, et al.
Best practice & research. Clinical gastroenterology · 2025 · Journal Article
Irene M, Jacopo I, Giorgio E, Raffaele B, et al.
Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference · 2025 · Journal Article
G A, C G, C J M, B L, et al.
Frontiers in transplantation · 2025 · Journal Article
Annalisa B, Nicolò S, Francesco Z, Raimondo P, et al.
Case reports in infectious diseases · 2025 · Case Reports
G G, J LH, G MB, E B
Blood advances · 2025 · Journal Article
Sarchi M, Clough CA, Gallì A, Picone C, et al.
Case reports in endocrinology · 2025 · Case Reports
Elena C, Andrea C, Di Giovanni F, Alessandra L, et al.
Zhongguo zhen jiu = Chinese acupuncture & moxibustion · 2025 · Journal Article
Wang H, Elena M, Pang Y, Wu K
Mechanisms of ageing and development · 2025 · Journal Article
Mahadzir MDA, Tan S, Elena S, Chin EM, et al.
Forensic science international. Genetics · 2026 · Journal Article
Serena A, Alessandra D, Elena C, Alessia R, et al.
Nurse education in practice · 2026 · Journal Article
Bartoníčková D, Chiappinotto S, Dominika K, Elena G, et al.
Clinical oral implants research · 2026 · Journal Article
Elena C, Stefano C, Marina D, Pinar E, et al.
Marine environmental research · 2025 · Journal Article
Amélie S, Salomé C, Xuan-Minh-Ai N, Abdessalem S, et al.
Ear, nose, & throat journal · 2026 · Journal Article
Jonas K, Benedikt K, Nicole R, Elena S, et al.
Nurse education in practice · 2026 · Journal Article
Bartoníčková D, Chiappinotto S, Dominika K, Elena G, et al.
Journal of clinical medicine · 2026 · Journal Article
María Del Rosario FS, Celia GM, Jorge AJ, Ana MJ, et al.
World journal of urology · 2026 · Journal Article
Scilipoti P, Zaurito P, Longoni M, Tremolada G, et al.
Urologic oncology · 2026 · Journal Article
Zaurito P, Scilipoti P, Longoni M, de Angelis M, et al.
Orphanet journal of rare diseases · 2026 · Journal Article
Francesca G, Michele S, Anna P, Paolo C, et al.
Orphanet journal of rare diseases · 2025 · Journal Article
Berta ZC, Zaida MR, de Aragón Ana M, Noemí NE, et al.
Italian journal of pediatrics · 2026 · Journal Article
Elena F, Sofia N, Paola P, Laura P, et al.
Orphanet journal of rare diseases · 2025 · Journal Article
Berta ZC, Zaida MR, de Aragón Ana M, Noemí NE, et al.
Pediatric blood & cancer · 2025 · Journal Article
Riccheri MC, Gomez SM, Deana A, Fynn AB, et al.
Nurse education in practice · 2026 · Journal Article
Bartoníčková D, Chiappinotto S, Dominika K, Elena G, et al.
Clinical breast cancer · 2025 · Journal Article
Elena CM, Fulvia PF, Emanuela R, Luigi C, et al.
Forensic science international. Genetics · 2026 · Journal Article
Serena A, Alessandra D, Elena C, Alessia R, et al.
Clinical oral implants research · 2026 · Journal Article
Elena C, Stefano C, Marina D, Pinar E, et al.
Pediatric blood & cancer · 2025 · Journal Article
Riccheri MC, Gomez SM, Deana A, Fynn AB, et al.
Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association · 2026 · Consensus Statement
Fusaro M, Chandran M, Nickolas T, Ferrari S, et al.