Shan, Yibing

Atomic-level characterization of the structural dynamics of proteins

Shaw, D. E., Maragakis, P., Lindorff-Larsen, K., Piana, S., Dror, R. O., Eastwood, M. P., Bank, J. A., Jumper, J. M., Salmon, J. K., Shan, Y., et al. (2010) · Science

Protein Structure and DynamicsRNA and protein synthesis mechanisms

Cited by 1,923

How Does a Drug Molecule Find Its Target Binding Site?

Shan, Y., Kim, E. T., Eastwood, M. P., Dror, R. O., Seeliger, M. A., & Shaw, D. E. (2011) · Journal of the American Chemical Society

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 614

Millisecond-scale molecular dynamics simulations on Anton

Shaw, D. E., Dror, R. O., Salmon, J. K., Grossman, J. P., Mackenzie, K. M., Bank, J. A., Young, C., Deneroff, M. M., Batson, B., Bowers, K. J., et al. (2009) · Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis

Parallel Computing and Optimization TechniquesProtein Structure and Dynamics

Cited by 382

Structural analysis of the catalytically inactive kinase domain of the human EGF receptor 3

Jura, N., Shan, Y., Cao, X., Shaw, D. E., & Kuriyan, J. (2009) · Proceedings of the National Academy of Sciences

HER2/EGFR in Cancer ResearchProtein Kinase Regulation and GTPase Signaling

Cited by 338

Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations

Littlefield, P., Liu, L., Mysore, V., Shan, Y., Shaw, D. E., & Jura, N. (2014) · Science Signaling

HER2/EGFR in Cancer ResearchLung Cancer Treatments and Mutations

Cited by 126

BCR::ABL1 kinase N-lobe mutants confer moderate to high degrees of resistance to asciminib

Leyte-Vidal, A., Garrido Ruiz, D., DeFilippis, R., Leske, I. B., Rea, D., Phan, S., Miller, K. B., Hu, F., Mase, A., Shan, Y., et al. (2024) · Blood

Chronic Myeloid Leukemia TreatmentsChronic Lymphocytic Leukemia Research

Cited by 40

Validation of an Allosteric Binding Site of Src Kinase Identified by Unbiased Ligand Binding Simulations

Mingione, V. R., Foda, Z. H., Paung, Y., Philipose, H., Rangwala, A. M., Shan, Y., & Seeliger, M. A. (2022) · Journal of Molecular Biology

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 13