Bioinformatics | Computational Biology | Drug Discovery Unsupervised deep learning for molecular dynamics simulations: a novel analysis of protein-ligand interactions in SARS-CoV-2 M. November 29, 2023
Ophthalmology Computational methods in glaucoma research: Current status and future outlook. November 5, 2023
Biochemistry | Oncology | Pharmacology A hybrid energy-based and AI-based screening approach for the discovery of novel inhibitors of JAK3. October 27, 2023
Bioinformatics | Structural Biology Structural characterization of an intrinsically disordered protein complex using integrated small-angle neutron scattering and computing. August 30, 2023
Pharmacology | Virology De novo design of bioactive phenol and chromone derivatives for inhibitors of Spike glycoprotein of SARS-CoV-2 in silico. August 17, 2023
Gastroenterology | Pharmacoinformatics | Traditional Chinese Medicine Amalgamated Pharmacoinformatics Study to Investigate the Mechanism of Xiao Jianzhong Tang against Chronic Atrophic Gastritis. July 21, 2023
Bioinformatics | Drug Discovery | Microbiology New drug target identification in by subtractive genome analysis and their inhibitors through molecular docking and molecular dynamics simulations. July 14, 2023
Biochemistry | Drug Discovery | Pharmacology Integrated data-driven and experimental approaches to accelerate lead optimization targeting SARS-CoV-2 main protease. June 14, 2023
Biochemistry | Microbiology | Structural Biology The structural integrity of the membrane-embedded bacterial division complex FtsQBL studied with molecular dynamics simulations. April 28, 2023
Biochemistry | Biophysics | Pharmacology Memory Unlocks the Future of Biomolecular Dynamics: Transformative Tools to Uncover Physical Insights Accurately and Efficiently. April 27, 2023
Immunology | Vaccinology | Virology An In Silico Deep Learning Approach to Multi-Epitope Vaccine Design: A Hepatitis E Virus Case Study. March 30, 2023
Computational Biology | Pharmacology | Virology AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. February 22, 2023