Ray, Soumya S.

Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures

Díaz-Rovira, A. M., Martín, H., Beuming, T., Díaz, L., Guallar, V., & Ray, S. S. (2022) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 95

Are Deep Learning Structural Models Sufficiently Accurate for Free Energy Calculations? Application of FEP+ to AlphaFold2 Predicted Structures

Beuming, T., Martín, H., Díaz-Rovira, A. M., Díaz, L., Guallar, V., & Ray, S. S. (2022) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 61

Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures

Beuming, T., Martín, H., Díaz-Rovira, A. M., Díaz, L., Guallar, V., & Ray, S. S. (2022) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 61

Targeted Degradation of the Oncogenic Phosphatase SHP2

Vemulapalli, V., Donovan, K. A., Seegar, T. C. M., Rogers, J. M., Bae, M., Lumpkin, R. J., Cao, R., Henke, M. T., Ray, S. S., Fischer, E. S., et al. (2021) · Biochemistry

Protein Tyrosine PhosphatasesProtein Degradation and Inhibitors

Cited by 43

X‐ray structure of an M. jannaschii DNA‐binding protein: Implications for antibiotic resistance in S. aureus

Ray, S. S., Bonanno, J. B., Chen, H., de Lencastre, H., Wu, S., Tomasz, A., & Burley, S. K. (2003) · Proteins: Structure, Function, and Bioinformatics

Enzyme Structure and FunctionAntimicrobial Resistance in Staphylococcus

Cited by 21