Showing results (11-20 of 61) with videos related to
Sort By:
Pageof 7
Chemical Science|July 1, 2021
DeepFrag: a deep convolutional neural network for fragment-based lead optimizationHarrison Green, David R Koes, Jacob D DurrantJournal of Chemical Information and Modeling|November 24, 2023
Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion PreferencesDakota L Folmsbee, David R Koes, Geoffrey R HutchisonThe Journal of Physical Chemistry. A|February 25, 2021
Evaluation of Thermochemical Machine Learning for Potential Energy Curves and Geometry OptimizationDakota L Folmsbee, David R Koes, Geoffrey R HutchisonArxiv|December 9, 2024
Exploring Discrete Flow Matching for 3D De Novo Molecule GenerationIan Dunn, David Ryan KoesJournal of Neurological Surgery. Part B, Skull Base|March 29, 2018
Resection of a Retrochiasmatic Craniopharyngioma by Combined Modified Orbital Craniotomy and Transnasal Endoscopic TechniquesNirav J Patel, Ian DunnArxiv|May 15, 2024
Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule GenerationIan Dunn, David Ryan KoesArxiv|May 20, 2024
Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein StructureIan Dunn, David Ryan KoesCell Reports|December 4, 2025
NEMO recruitment at single cytokine-receptor complexes shows quantized dynamics independent of ligand affinityA Hyun Kim, Benjamin Krummenacher, Jason Yeung, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|November 16, 2023
Deciphering the Role of Fatty Acid-Metabolizing CYP4F11 in Lung Cancer and Its Potential As a Drug TargetHuiting Jia, Bjoern Brixius, Caleb Bocianoski, et al.Digital Discovery|October 17, 2025
GEOM-drugs revisited: toward more chemically accurate benchmarks for 3D molecule generationFilipp Nikitin, Ian Dunn, David Ryan Koes, et al.Pageof 7