AIMC Topic: Protein Aggregates

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Calculation of therapeutic antibody viscosity with coarse-grained models, hydrodynamic calculations and machine learning-based parameters.

mAbs Jan 1, 2021
High viscosity presents a challenge for manufacturing and drug delivery of therapeutic antibodies. The viscosity is determined by protein-protein interactions among many antibodies. Molecular simulation is a promising method to study protein-protein ...
Machine Learning Protein Binding Antibodies, Monoclonal Molecular Dynamics Simulation Motion Drug Compounding Viscosity Protein Aggregates Hydrodynamics
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Prediction of amyloid aggregation rates by machine learning and feature selection.

The Journal of chemical physics Aug 28, 2019
A novel data-based machine learning algorithm for predicting amyloid aggregation rates is reported in this paper. Based on a highly nonlinear projection from 16 intrinsic features of a protein and 4 extrinsic features of the environment to the protei...
Neural Networks, Computer Machine Learning Kinetics Amyloid Protein Aggregates
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