Molecular Dynamics SimulationsStudy the conformational changes of proteins and assess the stability of protein-ligand complexes
Protein analysisMaximize the information from your crystal structure, molecular dynamics and pocket detection
Article Flare™ V11 released: Generative AI tools, constrained Protein-Protein Docking, detached calculations and many more enhanced featuresWe are excited to announce the latest release of Flare V11, which brings a range of new features and significant enhancements designed to make computational...
Molecular DynamicsStudy the conformational changes of proteins and assess the stability of protein-ligand complexes
Citation Understanding the substrate recognition and catalytic mechanism of methyl fucosidases from glycoside hydrolase family 139Understanding the substrate recognition and catalytic mechanism of methyl fucosidases from glycoside hydrolase family 139 Zak McIver, Alicia...
Citation Drug Repurposing by Virtual Screening: identification of new already approved ROCK inhibitors as promising drugs to target neurodegenerationDrug Repurposing by Virtual Screening: identification of new already approved ROCK inhibitors as promising drugs to target neurodegeneration...
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Citation Discovery of a small molecule secreted clusterin enhancer that improves memory in Alzheimer’s disease miceDiscovery of a small molecule secreted clusterin enhancer that improves memory in Alzheimer’s disease mice Gul I, Isham IM, Najimudeen SM et al....
Citation Virtual screening of azoles libraries: the search for potential anti‑mucormycotic agents using computational toolsVirtual screening of azoles libraries: the search for potential anti‑mucormycotic agents using computational tools Ahlam Haj Hasan,...
Poster Absolute binding free energy calculations for accurate activity prediction in modern scaffold hopping experiments
