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Ligand Pose Predictions for Human G Protein-Coupled Receptors: Insights from the Amber-Based Hybrid Molecular Mechanics/Coarse-Grained Approach2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods
Ksenia Korshunova, Zeineb Si Chaib, Alejandro Giorgetti, Mercedes Alfonso‐Prieto, Paolo Carloni
16citations -
Confucius: Iterative Tool Learning from Introspection Feedback by Easy-to-Difficult Curriculum2024 Proceedings of the AAAI Conference on Artificial Intelligence conference-paper Computer Science Topic Modeling Open access
Shen Gao, Zhengliang Shi, Minghang Zhu, Xin Xin, Pengjie Ren, Zhumin Chen, +1 more
16citations -
Predicted Adsorption Affinity for Enteric Microbial Metabolites to Metal and Carbon Nanomaterials2022 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Bregje W. Brinkmann, Ankush Singhal, G. J. A. Sevink, Lisette Neeft, Martina G. Vijver, Willie J.G.M. Peijnenburg
7citations -
Analyzing Extrapolation-based Co-simulation Methods with Control Systems: A Linearized Two-Area Power System with Automatic Generation Control1citations
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Refining NLP Semantic Matches Through Dialogue with Large Language Models2025 IEEE International Conference on Industrial Cyber-Physical Systems (ICPS) conference-paper Computer Science Topic Modeling Open access
Sebastian Heppner, Torben Miny, Tobias Kleinert, Ayan Zholdybayev, Marko Ristin, Hans Wernher van de Venn
3citations -
Sailing Towards Zero-Shot State Estimation using Foundation Models Combined with a UKF2025 Proceedings of the IEEE Conference on Decision & Control, including the Symposium on Adaptive Processes conference-paper Computer Science Target Tracking and Data Fusion in Sensor Networks
Tobin Holtmann, David Stenger, Andrés Felipe Posada-Moreno, Friedrich Solowjow, Sebastian Trimpe
0citations -
3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors2023 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access
Marina Gorostiola González, Remco L. van den Broek, Magdalini Chatzopoulou, Willem Jespers, Adriaan P. IJzerman, Laura H. Heitman, +1 more
6citations