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AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Models2024 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Andrius Bernatavicius, Martin Šícho, Antonius P. A. Janssen, Alan Kai Hassen, Mike Preuß, Gerard J. P. van Westen
20citations -
Ab initio polaritonic chemistry on diverse quantum computing platforms: Ansatz circuit design for qubit, qudit, and hybrid qubit-qumode architectures2025 Physical Review A article Computer Science Quantum Computing Algorithms and Architecture Open access
Even Chiari, Wafa Makhlouf, Lucie Pepe, Emiel Koridon, Johanna Klein, Bruno Senjean, +2 more
2citations -
Evaluating the Evaluator: Problems With SemEval-2020 Task 1 for Lexical Semantic Change Detection2026 Journal of Open Humanities Data article Computer Science Natural Language Processing Techniques Open access
Bach Phan Tat, Kevin Heylen, Dirk Geeraerts, Stefano De Pascale, Dirk Speelman
0citations -
The Importance of Being Constrained: Dealing with Infeasible Solutions in Differential Evolution and Beyond2023 Evolutionary Computation article Computer Science Metaheuristic Optimization Algorithms Research Open access
Anna V. Kononova, Diederick Vermetten, Fabio Caraffini, Mădălina Mitran, Daniela Zaharie
27citations -
Peeking beyond peaks: Challenges and research potentials of continuous multimodal multi-objective optimization2021 Computers & Operations Research article Computer Science Advanced Multi-Objective Optimization Algorithms Open access
Christian Grimme, Pascal Kerschke, Pelin Aspar, Heike Trautmann, Mike Preuß, Andre H. Deutz, +2 more
35citations -
An Improved Heterogeneous Comprehensive Learning Symbiotic Organism Search for Optimization Problems2023 Knowledge-Based Systems article Computer Science Metaheuristic Optimization Algorithms Research
Aminu Onimisi Abdulsalami, Mohamed Abd Elaziz, Farhad Soleimanian Gharehchopogh, Ahmed Tijani Salawudeen, Shengwu Xiong
29citations -
Generating Cheap Representative Functions for Expensive Automotive Crashworthiness Optimization2024 ACM Transactions on Evolutionary Learning and Optimization article Computer Science Metaheuristic Optimization Algorithms Research Open access
Fu Xing Long, Bas van Stein, Moritz A. Frenzel, Markus Gitterle, Thomas Bäck
8citations -
Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Lindsey Burggraaff, Eelke Bart Lenselink, Willem Jespers, Jesper E. van Engelen, Brandon J. Bongers, Marina Gorostiola González, +5 more
13citations -
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