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Pharmacology | Virology Discovery of Covalent Lead Compounds Targeting 3CL Protease with a Lateral Interactions Spiking Neural Network. March 23, 2024
Computational Chemistry | Drug Discovery LGGA-MPP: Local Geometry-Guided Graph Attention for Molecular Property Prediction. March 22, 2024
Bioinformatics | Computational Chemistry | Drug design PROTACable Is an Integrative Computational Pipeline of 3-D Modeling and Deep Learning To Automate the De Novo Design of PROTACs. March 20, 2024
Computational Chemistry | Pharmaceutical Chemistry Physics-Informed Generative Model for Drug-like Molecule Conformers. March 15, 2024
Bioinformatics | Computational Biology DeePNAP: A Deep Learning Method to Predict Protein-Nucleic Acid Binding Affinity from Their Sequences. March 8, 2024
Biochemistry | Computational Biology | Drug Discovery Enhancing Generalizability in Protein-Ligand Binding Affinity Prediction with Multimodal Contrastive Learning. March 5, 2024
Chemistry | Materials Science Physics-Informed Deep Learning Approach for Reintroducing Atomic Detail in Coarse-Grained Configurations of Multiple Poly(lactic acid) Stereoisomers. March 1, 2024
Bioinformatics | Computational Biology | Molecular Biology Epitope Identification of an mGlu5 Receptor Nanobody Using Physics-Based Molecular Modeling and Deep Learning Techniques. February 29, 2024
Chemistry | Materials Science Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules Using Convolutional Neural Networks. February 29, 2024
Bioinformatics | Drug Discovery | Pharmacology Machine Learning for Sequence and Structure-Based Protein-Ligand Interaction Prediction. February 22, 2024