Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields.
Cavender CE, Case DA, Chen JCH, Chong LT, Keedy DA, Lindorff-Larsen K, Mobley DL, Ollila OHS, Oostenbrink C, Robustelli P, Voelz VA, Wall ME, Wych DC, Gilson MK. Structure-Based Experimental Datasets […]
Fragment Screening Identifies Novel Allosteric Binders and Binding Sites in the VHR (DUSP3) Phosphatase
Wu J, Baranowski MR, Aleshin AE, Isiorho EA, Lambert LJ, De Backer LJS, Han YN, Das R, Sheffler DJ, Bobkov AA, Lemberikman AM, Keedy DA, Cosford NDP, Tautz L. Fragment […]
Allosteric regulation of the tyrosine phosphatase PTP1B by a protein-protein interaction.
Chartier CA, Woods VA, Xu Y, van Vlimmeren AE, Jovanovic M, McDermott AE, Keedy DA, Shah NH. Allosteric regulation of the tyrosine phosphatase PTP1B by a protein-protein interaction. Protein Science. 2025. […]
Sequestration within peptide coacervates improves the fluorescence intensity, kinetics, and limits of detection of dye-based DNA biosensors. Communications Chemistry
Green, C.M., Sementa, D., Mathur,D., Melinger, J.S., Deshpande, P., Elbaum-Garfinkle, S., Medintz, I.L., Ulijn, R.V., Díaz, S.A. 2024. Sequestration within peptide coacervates improves the fluorescence intensity, kinetics, and limits of […]
Vishal Persaud
Francesca Vallese, Ph.D.
AI is a viable alternative to high throughput screening: a 318-target study.
Atomwise AIMS Program: Wallach I, …, Keedy DA, …, Smith KS, …, Singh N, …, Hossain S, …, Dzhumaev S, …, Azeem SM, …, Mehlman T, …, Woods VA…, Heifets […]
Automated multiconformer model building for X-ray crystallography and cryo-EM.
Wankowicz SA, Ravikumar A, Sharma S, Riley BT, Raju A, Hogan D, van den Bedem H, Keedy DA, Fraser JS. Automated multiconformer model building for X-ray crystallography and cryo-EM. eLife. […]
Native dynamics and allosteric responses in PTP1B probed by high-resolution HDX-MS.
Woods VA, Abzalimov RR, Keedy DA. Native dynamics and allosteric responses in PTP1B probed by high-resolution HDX-MS. Protein Science. 2024. 33(6):e5024. […]