| Predicting ligand binding poses for low-resolution membrane protein models: Perspectives from multiscale simulations J Schneider, K Korshunova, F Musiani, M Alfonso-Prieto, A Giorgetti, ... Biochemical and biophysical research communications 498 (2), 366-374, 2018 | 38 | 2018 |
| Ligand pose predictions for human G protein-coupled receptors: insights from the Amber-based hybrid Molecular Mechanics/Coarse-Grained approach J Schneider, K Korshunova, Z Si Chaib, A Giorgetti, M Alfonso-Prieto, ... Journal of chemical information and modeling 60 (10), 5103-5116, 2020 | 13 | 2020 |
| Hybrid MM/CG webserver: automatic set up of molecular mechanics/coarse-grained simulations for human G protein-coupled receptor/ligand complexes J Schneider, R Ribeiro, M Alfonso-Prieto, P Carloni, A Giorgetti Frontiers in molecular biosciences 7, 576689, 2020 | 9 | 2020 |
| Computer aided recipe design: optimization of polydisperse chemical mixtures using molecular descriptors A MacKenzie, J Schneider, J Meyer, C Loschen Reaction Chemistry & Engineering 9 (5), 1061-1076, 2024 | 1 | 2024 |
Mercedes Alfonso PrietoForschungszentrum Jülich在 fz-juelich.de 的电子邮件经过验证
