[{"command":"insert","method":null,"selector":".course-modal-ajax-placeholder-968983","data":"\u003Cdiv class=\u0022container content-rte\u0022\u003E\n \u003Cdiv class=\u0022row\u0022\u003E\n \u003Cdiv class=\u0022box col-md-6 bg-primary text-white\u0022\u003E\n \u003Ch2 class=\u0022h1 text-left\u0022\u003E Modeling structure and dynamics of biomolecules\n\u003C\/h2\u003E\n \u003Cdiv class=\u0022field-spacing\u0022\u003E\n \u003Cdiv class=\u0022field__label h3 dash\u0022\u003EECTS :\n 3\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003Cdiv class=\u0022field-spacing\u0022\u003E\n \u003Cdiv class=\u0022field__label h3 dash\u0022\u003ESemester:\n Semestre 1\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003Cdiv class=\u0022field-spacing\u0022\u003E\n \u003Cdiv class=\u0022field__label h3 dash\u0022\u003ED\u00e9tail du volume horaire\u003C\/div\u003E\n \u003Cdiv class=\u0022mt-5 text-justify\u0022\u003E\n \u003Cspan class=\u0022field__label h4 mt-5 \u0022\u003ELecture:\u003C\/span\u003E\n \u003Cspan\u003E15\u003C\/span\u003E\n \u003C\/div\u003E\n \u003Cdiv class=\u0022mt-5 text-justify\u0022\u003E\n \u003Cspan class=\u0022field__label h4 mt-5 \u0022\u003EPractical study :\u003C\/span\u003E\n \u003Cspan\u003E15\u003C\/span\u003E\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003Cdiv class=\u0022field-spacing\u0022\u003E\n \u003Cdiv class=\u0022field__label h3 dash\u0022\u003ELangue d\u0026#039;enseignement\u003C\/div\u003E\n \u003Cdiv class=\u0022mt-5 text-justify\u0022\u003E\n \u003Cspan\u003EAnglais\u003C\/span\u003E\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003Cdiv class=\u0022field-spacing\u0022\u003E\n \u003Cdiv class=\u0022field__label h3 dash\u0022\u003EEnseignement \u00e0 distance\u003C\/div\u003E\n \u003Cdiv class=\u0022mt-5 text-justify\u0022\u003E\n \u003Cspan\u003Enon\u003C\/span\u003E\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003Cdiv class=\u0022box col-md-6\u0022\u003E\n \u003Cdiv class=\u0022field-spacing\u0022\u003E\n \u003Cdiv class=\u0022field__label h3 dash\u0022\u003EPr\u00e9requis\u003C\/div\u003E\n \u003Cdiv class=\u0022mt-5 text-justify\u0022\u003E\n \u003Cspan\u003E\u003Cp\u003EFundamentals in Biology, or equivalent prior knowledge\u003C\/p\u003E\u003C\/span\u003E\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003Cdiv class=\u0022field-spacing\u0022\u003E\n \u003Cdiv class=\u0022field__label h3 dash\u0022\u003EProgramme \/ plan \/ contenus\u003C\/div\u003E\n \u003Cdiv class=\u0022mt-5 text-justify\u0022\u003E\n \u003Cspan\u003E\u003Cp\u003ECM:\u003C\/p\u003E\n\u003Col\u003E\n\u003Cli\u003EElements of quantum chemistry\u003C\/li\u003E\n\u003Cli\u003EThe space of biological sequences and structures\nMultiple sequence alignments, conservation and (co-)evolution.\u003C\/li\u003E\n\u003Cli\u003EProtein structure prediction: physics and statistics\nThe protein folding problem: approaches from physics (Anton) and statistics (AlphaFold).\u003C\/li\u003E\n\u003Cli\u003ETheoretical bases of molecular mechanics\nBiomolecular empirical force fields: principles, approximations, common functional forms, the solvent, performance considerations, applications.\u003C\/li\u003E\n\u003Cli\u003ESampling the potential energy surface\nAlgorithms and techniques (minimisation, Monte Carlo, molecular dynamics, Normal modes)\u003C\/li\u003E\n\u003C\/ol\u003E\n\u003Cp\u003ELab Work\n5. Quantum chemistry using Gaussian\n6. Modelling structure\nFrom sequence to structure using machine learning; evaluating quality and limitations of models; using molecular viewers to study biomolecular structure and interactions and gain physical insight into the biological phenomena\n7. Modelling dynamics\nFrom static structure to trajectory in physiological conditions; extracting useful information from the trajectory to evaluate simulation quality, compare with experiment and shed light on molecular mechanisms\u003C\/p\u003E\u003C\/span\u003E\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003Cdiv class=\u0022field-spacing\u0022\u003E\n \u003Cdiv class=\u0022field__label h3 dash\u0022\u003EObjectifs d\u0026#039;apprentissage\u003C\/div\u003E\n \u003Cdiv class=\u0022mt-5 text-justify\u0022\u003E\n \u003Cspan\u003E\u003Cp\u003EBiomolecules adopt a dynamic ensemble of conformations to perform a multitude of cellular functions. In only a few years, structural biology, the study of the 3D structure or shape of proteins and other biomolecules, has been transformed by breakthroughs from machine learning algorithms. Despite all this progress, there are still many active and open challenges for the field, at the interface of Physics, Biology and Mathematics. This course will present recent advances and future perspectives, focusing on the complementarity of physical and statistical approaches\u003C\/p\u003E\u003C\/span\u003E\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003Cdiv class=\u0022field-spacing\u0022\u003E\n \u003Cdiv class=\u0022field__label h3 dash\u0022\u003EBibliographie\u003C\/div\u003E\n \u003Cdiv class=\u0022mt-5 text-justify\u0022\u003E\n \u003Cspan\u003E\u003Cp\u003EMolecular Modelling: Principles and Applications (Pearson Education, 2001), A. Leach; Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, 1996) D. Frenkel \u0026amp; B. Smit; several recent scientific publications.\u003C\/p\u003E\u003C\/span\u003E\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003Cdiv class=\u0022field-spacing\u0022\u003E\n \u003Cdiv class=\u0022field__label h3 dash\u0022\u003ENature de l\u0026#039;\u00e9valuation\u003C\/div\u003E\n \u003Cdiv class=\u0022mt-5 text-justify\u0022\u003E\n \u003Cspan\u003EEvaluation Continue Int\u00e9grale\u003C\/span\u003E\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003C\/div\u003E\n \u003C\/div\u003E\n\u003C\/div\u003E\n","settings":null}]