Papers matching “structural dynamics simulation” 17
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Structural Determinants of Mac1 Inhibition: Lessons from Ligand Binding Patterns2026 Zenodo (CERN European Organization for Nuclear Research) article Computer Science Computational Drug Discovery Methods Open access
Verena Weber, Giulia Rossetti, Bernhard Lüscher, Patricia Korn, Sarah Knapp
0citations -
Structural Determinants of Mac1 Inhibition: Lessons from Ligand Binding Patterns2026 Zenodo (CERN European Organization for Nuclear Research) article Computer Science Computational Drug Discovery Methods Open access
Verena Weber, Giulia Rossetti, Bernhard Lüscher, Patricia Korn, Sarah Knapp
0citations -
Integration of an agent model into an open simulation architecture for scenario-based testing of automated vehicles2026 at - Automatisierungstechnik article Computer Science Modeling and Simulation Systems Open access cited by 1 patent
Christian Geller, Daniel De Becker, Jobst Beckmann, Lutz Eckstein
0citations -
EXCELLERATP2 D3.2 First Updated Report on Exa-Enabling Methodologies2026 Zenodo (CERN European Organization for Nuclear Research) article Computer Science Parallel Computing and Optimization Techniques Open access
Ansgar Niemöller, Matthias H. Meinke, Joeffrey Legaux, Mohamed Ibrahim Ghenai, Michael Wagner, Tufan Arslan, +12 more
0citations -
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 -
Modelling Concept Drift in Dynamic Data Streams for Recommender Systems2024 ACM Transactions on Recommender Systems article Computer Science Recommender Systems and Techniques Open access
Luciano Caroprese, Francesco Sergio Pisani, Bruno Veloso, Giuseppe Manco, Holger H. Hoos, João Manuel Portela da Gama
7citations -
FPGA-accelerated Binary Neural Networks as a surrogate model for a viscoplastic constitutive law in impulsively loaded beams2025 Mechanics Research Communications article Computer Science Advanced Neural Network Applications Open access
Vasileios Polydoras, Saurabh Balkrishna Tandale, Rutwik Gulakala, Marcus Stoffel
2citations -
Large Physics Models: Towards a collaborative approach with Large Language Models and Foundation Models2025 Archive ouverte UNIGE (University of Geneva) article Computer Science Artificial Intelligence Applications Open access
Kristian González Barman, S. Caron, Emily Sullivan, Henk W. de Regt, Roberto Ruiz de Austri, Mieke Boon, +15 more
1citations -
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 -
Large physics models: towards a collaborative approach with large language models and foundation models2025 The European Physical Journal C article Computer Science Artificial Intelligence Applications Open access
Kristian González Barman, S. Caron, Emily Sullivan, Henk W. de Regt, Roberto Ruiz de Austri, Mieke Boon, +16 more
10citations -
Transforming Knowledge into Practice: Science, Technology and Innovation in Support of the UN SDGs2024 Research Ideas and Outcomes article Computer Science Research Data Management Practices Open access
Christos Arvanitidis, Boris Barov, Alberto Basset, Klaas Deneudt, Montserrat Gonzalez-Ferreiro, Federico Drago, +9 more
1citations
17 results