Bioinformatics | Drug Development | Proteomics Prediction of protein secondary structure by the improved TCN-BiLSTM-MHA model with knowledge distillation. July 17, 2024
Bioinformatics | Computational Biology Generative β-Hairpin Design Using a Residue-Based Physicochemical Property Landscape. February 1, 2024
Bioinformatics | Computational Biology | Drug Discovery | Pharmacology ResBiGAAT: Residual Bi-GRU with attention for protein-ligand binding affinity prediction. October 22, 2023
Bioinformatics | Drug Discovery | Pharmaceutical Sciences Generating Potential Protein-Protein Interaction Inhibitor Molecules Based on Physicochemical Properties. August 12, 2023
Proteomics | Quantitative Mass Spectrometry Insight on physicochemical properties governing peptide MS1 response in HPLC-ESI-MS/MS: A deep learning approach. August 10, 2023
Other Machine learning approach for assessment of arsenic levels using physicochemical properties of water, soil, elevation, and land cover. May 5, 2023
Bioinformatics | Drug Discovery | Pharmacology FMGNN: A method to predict compound- protein interaction with pharmacophore features and physicochemical properties of amino acids. May 3, 2022
Bioinformatics | Proteomics | Structural Biology Using Big Data Analytics to “Back Engineer” Protein Conformational Selection Mechanisms. April 23, 2022
Bioinformatics | Computational Biology PYTHIA: Deep Learning Approach for Local Protein Conformation Prediction. August 27, 2021
Chemistry | Environmental Science | Toxicology Key Physicochemical Properties Dictating Gastrointestinal Bioaccessibility of Microplastics-Associated Organic Xenobiotics: Insights from a Deep Learning Approach. September 15, 2020
Computational Chemistry | Drug Discovery | Pharmacology Structure-property relationships and machine learning models for addressing CYP3A4-mediated victim drug-drug interaction risk in drug discovery. August 15, 2020