
Explore virtual screening techniques for drug discovery through hands-on lab exercises guided by industry experts.

Explore virtual screening techniques for drug discovery with experts Lu Zhu and Cas Wognum in this recorded session from the 2024 ML for Drug Discovery Summer School.

Explore insights from rebuilding AlphaFold2, including performance analysis, learning mechanisms, and current progress in protein structure prediction.

Explore cryptic pocket discovery using AlphaFold and Markov State Modelling. Learn about Plasmepsin II, transition states, and activation mechanisms in drug discovery.

Explore innovative machine learning techniques for generative backmapping of coarse-grained proteins, focusing on transferability, reliability, and efficiency in molecular simulations.

Explore cell morphology-guided de novo hit design using GANs conditioned on phenotypic image features for efficient bioactive molecule development in drug discovery.

Explore an innovative Graph Neural Network approach for drug discovery, incorporating molecular chirality and offering interpretable results to enhance quantitative structure-activity relationship modeling.

Explore a multi-omic AI platform combining tumor and host data to predict disease survival outcomes using advanced biomarker panels and machine learning techniques.

Explore protein folding algorithms, their applications, and computational approaches in structural biology and drug discovery.

Explore deep learning applications in molecular simulations, including surrogate functions, sampling complex distributions, and time-propagation of differential equations. Learn about active learning, generative models, and reaction path finding.

Explore molecule representation learning through topology, geometry, and textual description. Gain insights into AI-driven drug discovery and molecular modeling techniques.

Explore benchmarking and critical evaluation of machine learning force fields in molecular simulations, focusing on realistic MD trajectories beyond force prediction accuracy.

Explore ProtMD, a novel approach incorporating protein flexibility in drug binding predictions using molecular dynamics simulations and self-supervised learning techniques for improved accuracy.

Explore DiffDock, a novel diffusion-based approach to molecular docking that outperforms traditional and deep learning methods in predicting ligand-protein binding structures for drug design.

Explore equivariant 3D-conditional diffusion models for molecular linker design in drug discovery. Learn about DiffLinker's innovative approach to connecting multiple fragments and its applications in real-world scenarios.

Explore single-cell perturbation response prediction for novel drugs using an encoder-decoder architecture and transfer learning, enhancing drug discovery efficiency through in-silico hypothesis generation.

Explore super diffusion in complex systems, focusing on metaplex networks and their impact on diffusion processes through fractional modeling and real-world examples.

Explore hierarchies in urban systems and their impact on complex city structures through an interdisciplinary lens of physics and social sciences.

Explore advanced techniques for sampling rare trajectories in complex systems, enhancing understanding of critical events and system behavior.

Explore the fusion of biology and AI, focusing on enhancing recurrent networks of spiking neurons for visual processing and information analysis.

Explore probabilistic networks for modeling complex systems, focusing on applications in physics and interdisciplinary fields.