Abstracts – Page 2 – Nancy Computational Structural Biology (NCSB) meeting

Sequence, structure and population allele frequency accurately predict mutational effects in proteins

Yasaman KARAMI 2024/04/22 2024/04/22Abstracts

Alessandra Carbone Laboratoire de Biologie Computationnelle et Quantitative, Sorbonne Université-CNRS, Paris, France Accurately annotating missense variants is pivotal in the fight against rare diseases. Despite advancements, such as the breakthrough AlphaMissense model featured in Science on September 23, 2023, clinicians continue to face the challenge of distinguishing pathogenic rare variants…

Modeling rare events. Discovering reaction pathways, slow variables, and committor probabilities with machine learning

Yasaman KARAMI 2024/04/22 2024/04/22Abstracts

Chris Chipot Unité Mixte de Recherche, CNRS/UL 7565, Université de Lorraine, Vandoeuvre-les-Nancy, France At the atomic scale, simulating transitions between stable states of the free-energy landscape, often impeded by sluggish molecular processes, constitutes a daunting challenge. One common approach to overcoming these barriers and speeding up dynamics is supplied by…

Protein structural ensembles from 3D and 2D cryo-EM data

Yasaman KARAMI 2024/04/22 2024/04/22Abstracts

Massimiliano Bonomi Institut Pasteur, Université Paris Cité, CNRS UMR 3528, Computational Structural Biology Unit, Paris, France Understanding the molecular mechanisms employed by biological systems to carry out their functions is often essential for rationally targeting associated diseases. In many cases, determining the three- dimensional (3D) structure of these systems provides…