Papers by Vassilis Pitsikalis
IEEE Conference Proceedings, 2016
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Sixteenth ACM Conference on Recommender Systems, Sep 18, 2022
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Journal of Chemical Information and Modeling, Sep 26, 2022
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IEEE Transactions on Audio, Speech, and Language Processing, Mar 1, 2009
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Non-Linear Speech Processing, 2003
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The Springer series on challenges in machine learning, 2017
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2023 IEEE International Conference on Image Processing (ICIP)
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The COVID-19 pandemic continues to pose a substantial threat to human lives and is likely to do s... more The COVID-19 pandemic continues to pose a substantial threat to human lives and is likely to do so for years to come. Despite the availability of vaccines, searching for efficient small-molecule drugs that are widely available, including in low- and middle-income countries, is an ongoing challenge. In this work, we report the results of a community effort, the “Billion molecules against Covid-19 challenge”, to identify small-molecule inhibitors against SARS-CoV-2 or relevant human receptors. Participating teams used a wide variety of computational methods to screen a minimum of 1 billion virtual molecules against 6 protein targets. Overall, 31 teams participated, and they suggested a total of 639,024 potentially active molecules, which were subsequently ranked to find ‘consensus compounds’. The organizing team coordinated with various contract research organizations (CROs) and collaborating institutions to synthesize and test 878 compounds for activity against proteases (Nsp5, Nsp3,...
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Lecture Notes in Computer Science, 2016
Acquisition and annotation of a multimodal-multisensory data set of human-passive rollator-carer ... more Acquisition and annotation of a multimodal-multisensory data set of human-passive rollator-carer interactions have enabled the analysis of related human behavioural patterns and the definition of the MOBOT human-robot communication model. The MOBOT project has envisioned the development of cognitive robotic assistant prototypes that act proactively, adaptively and interactively with respect to elderly humans with slight walking and cognitive difficulties. To meet the project’s goals, a multimodal action recognition system is being developed to monitor, analyse and predict user actions with a high level of accuracy and detail. In the same framework, the analysis of human behaviour data that have become available through the project’s multimodal-multisensory corpus, have led to the modelling of Human-Robot Communication in order to achieve an effective, natural interaction between users and the assistive robotic platform. Here, we discuss how the project’s communication model has been integrated in the robotic platform in order to support a natural multimodal human-robot interaction.
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Computational methods for virtual screening can dramatically accelerate early-stage drug discover... more Computational methods for virtual screening can dramatically accelerate early-stage drug discovery by identifying potential hits for a specified target. Docking algorithms traditionally use physics-based simulations to address this challenge by estimating the binding orientation of a query protein-ligand pair and a corresponding binding affinity score. Over the recent years, classical and modern machine learning architectures have shown potential for outperforming traditional docking algorithms. Nevertheless, most learning-based algorithms still rely on the availability of the protein-ligand complex binding pose, typically estimated via docking simulations, which leads to a severe slowdown of the overall virtual screening process. A family of algorithms processing target information at the amino acid sequence level avoid this requirement, however at the cost of processing protein data at a higher representation level. We introduce deep neural virtual screening (DENVIS), an end-to-en...
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2021 IEEE/CVF International Conference on Computer Vision (ICCV), 2021
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2016 IEEE International Conference on Image Processing (ICIP), 2016
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On May 4th 2020 a GrandChallenge entitled "Billion molecules against Covid-19" was laun... more On May 4th 2020 a GrandChallenge entitled "Billion molecules against Covid-19" was launched by the Joint European Disruptive Initiative (JEDI). Teams from all over the world provided lists of compounds with suspected inhibitory properties versus specific SARS-CoV-2 and human host protein targets. Here we disclose 878 compounds, which were selected by the 20 top-ranked teams ('finalists'). Some finalists teams did not have compounds produced, because they were either unstable or synthetically unfeasible. The compounds were synthesized thanks to JEDI fundraising, and are in the process of being tested in biophysical assays, cell-based assays, etc. Purity data for each compound by LC-MS (liquid chromatography mass spectrometry) is provided. The data file contains SMILES information, molecular weight, purity, and solubility information (in DMSO dimethylsulfoxide). The compounds should be active against either one of the following SARS-CoV-2 protein targets: nsp3, nsp5,...
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2016 IEEE Symposium Series on Computational Intelligence (SSCI), 2016
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Lecture Notes in Computer Science, 2016
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The Handbook of Multimodal-Multisensor Interfaces: Foundations, User Modeling, and Common Modality Combinations - Volume 1
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Papers by Vassilis Pitsikalis