Bioinformatics | Microbiology | Pharmacology Peptide-Membrane Docking and Molecular Dynamic Simulation of In Silico Detected Antimicrobial Peptides from Portulaca oleracea’s Transcriptome. May 4, 2024
Oncology Investigation of the MDM2-binding potential of de novo designed peptides using enhanced sampling simulations. April 28, 2024
Biochemistry | Pharmacology Binding Mechanism of Inhibitors to BRD4 and BRD9 Decoded by Multiple Independent Molecular Dynamics Simulations and Deep Learning. April 27, 2024
Bioinformatics | Computational Biology | Drug design Design of target specific peptide inhibitors using generative deep learning and molecular dynamics simulations. February 21, 2024
Drug design | Metabolic Diseases | Pharmacology Engineering novel scaffolds for specific HDAC11 inhibitors against metabolic diseases exploiting deep learning, virtual screening, and molecular dynamics simulations. February 10, 2024
Genetics | Hematology | Oncology Linking Gene Fusions to Bone Marrow Failure and Malignant Transformation in Dyskeratosis Congenita. February 10, 2024
Biochemistry | Pharmacology Using deep learning and molecular dynamics simulations to unravel the regulation mechanism of peptides as noncompetitive inhibitor of xanthine oxidase. January 3, 2024
Biochemistry | Neurology | Pharmacology Investigation of the Binding Interaction of Mfsd2a with NEDD4-2 via Molecular Dynamics Simulations. December 29, 2023
Molecular Biology | Oncology | Pharmacology Discovery of potential WEE1 inhibitors via hybrid virtual screening. December 25, 2023
Immunology | Structural Biology Modelling the assembly and flexibility of antibody structures. December 20, 2023
Ophthalmology Computational methods in glaucoma research: Current status and future outlook. November 5, 2023
Other What dictates soft clay-like lithium superionic conductor formation from rigid salts mixture. October 29, 2023