6 papers · ranked by Valyu relevance
Nihal Dadheech
In our research journey, we undertook a comprehensive exploration of protein-protein interaction (PPI) prediction, with a primary focus on unraveling the intricate web of interactions involving the SARS-CoV-2 virus. Our research endeavor encompassed a multi-faceted approach that seamlessly integrated data…
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Predicting protein-ligand binding affinity from three-dimensional (3D) structural data is a central task in structure-based drug discovery, yet it remains challenging due to limited data availability, structural complexity, and the sparse nature of 3D molecular representations. In this study, we investigate the…
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Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and Middle East respiratory syndrome coronavirus (MERS-CoV) are two important targets in current drug discovery, mainly due to the COVID-19 pandemic and the MERS-CoV outbreaks in recent years. An important target of both SARS-CoV-2 and MERS-CoV is the main…
Fuzhan Rahmanian, Robert M. Lee, Dominik Linzner, Kathrin Michel + 4 more
Predicting and monitoring battery life early and across chemistries is a significant challenge due to the plethora of degradation paths, form factors, and electrochemical testing protocols. Existing models typically translate poorly across different electrode, electrolyte, and additive materials, mostly require a fixed…
Long Qian, Xin Lu, Parvez Haris, Jianyong Zhu + 2 more
Clinical trials are crucial for drug development, but they require significant time and financial resources. Additionally, uncertainties may arise during these trials concerning their results due to concerns surrounding effectiveness, safety, or the enrollment of participants. If robust AI (artificial intelligence)…
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Accurately modeling the dynamics of open quantum systems is critical for advancing quantum technologies, yet traditional methods often struggle with balancing accuracy and efficiency. Machine learning (ML) offers a promising alternative, particularly through recursive models that predict system evolution based on the…