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Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods cited by 4 patents
Francesca Deflorian, Laura Pérez‐Benito, Eelke Bart Lenselink, Miles Congreve, Herman van Vlijmen, Jonathan S. Mason, +2 more
88citations -
Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site2026 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
David Alencar Araripe, Alejandro Díaz‐Holguín, Antti Poso, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutiérrez‐de‐Terán, +1 more
3citations -
Distributed hybrid quantum-classical performance prediction for hyperparameter optimization2024 Quantum Machine Intelligence article Computer Science Quantum Computing Algorithms and Architecture Open access
Eric Wulff, Juan Pablo García Amboage, Marcel Aach, Þorsteinn Elí Gíslason, Thorsteinn Kristinn Ingolfsson, Tomas Kristinn Ingolfsson, +6 more
4citations -
Development of a DNI Forecast Tool Based on Machine Learning for the Smart Operation of a Parabolic Trough Collector System with Thermal Energy Storage2024 SolarPACES Conference Proceedings conference-paper Computer Science Solar Radiation and Photovoltaics Open access
Johannes Christoph Sattler, Siddharth Dutta, Spiros Alexopoulos, Adnan Kawam, Cristiano Teixeira Boura, Ulf Herrmann, +1 more
0citations -
Aligning Tag-Based Building Operating Systems with RealEstateCore Ontology for Interoperability, Digital Twin Knowledge Graphs and Energy Management2025 IEEE International Conference on Knowledge Graph (ICKG) conference-paper Computer Science Semantic Web and Ontologies
Prerna Juhlin, Michael Kleefisch, Charles Steinmetz, Gösta Stomberg, Matthias Schlöder, Eike Fokken, +1 more
0citations -
DNI Forecast Tool for the Smart Operation of a Parabolic Trough Collector System With Concrete Thermal Energy Storage2024 SolarPACES Conference Proceedings conference-paper Computer Science Solar Radiation and Photovoltaics Open access
Johannes Christoph Sattler, Vikrama Atti, Spiros Alexopoulos, Cristiano Teixeira Boura, Ulf Herrmann, Siddharth Dutta, +1 more
1citations -
ALOHA: A Unified Platform-Aware Evaluation Method for CNNs Execution on Heterogeneous Systems at the Edge2021 IEEE Access article Computer Science Advanced Neural Network Applications Open access cited by 1 patent
Paola Busia, Svetlana Minakova, Todor P. Stefanov, Luigi Raffo, Paolo Meloni
9citations -
Enhanced Sampling Approach to the Induced-Fit Docking Problem in Protein–Ligand Binding: The Case of Mono-ADP-Ribosylation Hydrolase Inhibitors2021 Journal of Chemical Theory and Computation article Computer Science Computational Drug Discovery Methods Open access
Qianqian Zhao, Riccardo Capelli, Paolo Carloni, Bernhard Lüscher, Jinyu Li, Giulia Rossetti
28citations -
Solvation Free Energies of Anions: From Curated Reference Data to Predictive Models2025 Journal of the American Chemical Society article Computer Science Computational Drug Discovery Methods Open access
Thomas Nevolianis, Jonathan Wenyuan Zheng, Simon Müller, Matthias Baumann, Sofja Tshepelevitsh, Ivari Kaljurand, +4 more
11citations -
Probabilistic Forecasting of PV Power Using Artificial Neural Networks with Confidence Intervals2024 Proceedings of the Annual Conference of the IEEE Industrial Electronics Society conference-paper Computer Science Solar Radiation and Photovoltaics
Saloni Dhingra, Giambattista Gruosso, Giancarlo Storti Gajani
3citations