Krämer, Andreas

TorchMD: A Deep Learning Framework for Molecular Simulations

Doerr, S., Majewski, M., Pérez, A., Krämer, A., Clementi, C., Noe, F., Giorgino, T., & De Fabritiis, G. (2021) · Journal of Chemical Theory and Computation

Machine Learning in Materials ScienceAdvanced Physical and Chemical Molecular Interactions

Cited by 230

Permeability of membranes in the liquid ordered and liquid disordered phases

Ghysels, A., Krämer, A., Venable, R. M., Teague, W. E., Lyman, E., Gawrisch, K., & Pastor, R. W. (2019) · Nature Communications

Lipid Membrane Structure and BehaviorCaveolin-1 and cellular processes

Cited by 136

Navigating protein landscapes with a machine-learned transferable coarse-grained model

Clementi, C., Charron, N., Musil, F., Guljas, A., Chen, Y., Bonneau, K., Pasos-Trejo, A., Venturin, J., Gusew, D., Zaporozhets, I., et al. (2023) · Nature Chemistry

Protein Structure and DynamicsRNA and protein synthesis mechanisms

Cited by 65