Marc Descoteaux

Structure prediction of cyclic peptides by molecular dynamics + machine learning

J. Miao, Marc Descoteaux, Yu‐Shan Lin · Chemical Science · 2021 · 64 citations · Full text

Silk degumming time controls horseradish peroxidase-catalyzed hydrogel properties

Jugal Kishore Sahoo, Jaewon Choi, Onur Hasturk et al. · Biomaterials Science · 2020 · 52 citations · Full text

Tissue Engineering, Hydrogels, Silk Degumming Time +15

Training Neural Network Models Using Molecular Dynamics Simulation Results to Efficiently Predict Cyclic Hexapeptide Structural Ensembles

Tiffani Hui, Marc Descoteaux, J. Miao et al. · Journal of Chemical Theory and Computation · 2023 · 17 citations · Full text

Unified differentiable learning of electric response

Stefano Falletta, Andrea Cepellotti, Anders Johansson et al. · Nature Communications · 2025 · 17 citations · Full text

Sugar Functionalization of Silks with Pathway‐Controlled Substitution and Properties

Jugal Kishore Sahoo, Onur Hasturk, Jaewon Choi et al. · Advanced Biology · 2021 · 14 citations · Full text