Stein, Richard A.

SPEACH_AF: Sampling protein ensembles and conformational heterogeneity with Alphafold2

Stein, R. A., & Mchaourab, H. S. (2022) · PLOS Computational Biology

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 258

Modeling Alternate Conformations with Alphafold2 via Modification of the Multiple Sequence Alignment

Stein, R. A., & Mchaourab, H. S. (2021) · PLoS Computational Biology

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 258

An embedded lipid in the multidrug transporter LmrP suggests a mechanism for polyspecificity

Debruycker, V., Hutchin, A., Masureel, M., Ficici, E., Martens, C., Legrand, P., Stein, R. A., Mchaourab, H. S., Faraldo-Gómez, J. D., Remaut, H., et al. (2020) · Nature Structural & Molecular Biology

Drug Transport and Resistance MechanismsAntibiotic Resistance in Bacteria

Cited by 69

Conformational changes underlying calcium/calmodulin‐dependent protein kinase II activation

Hoffman, L., Stein, R. A., Colbran, R. J., & Mchaourab, H. S. (2011) · The EMBO Journal

Protein Kinase Regulation and GTPase SignalingProtein Structure and Dynamics

Cited by 54

Approximating Projections of Conformational Boltzmann Distributions with AlphaFold2 Predictions: Opportunities and Limitations

Brown, B. P., Stein, R. A., Meiler, J., & Mchaourab, H. S. (2024) · Journal of Chemical Theory and Computation

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 41

Approximating conformational Boltzmann distributions with AlphaFold2 predictions

Brown, B. P., Stein, R. A., Meiler, J., & Mchaourab, H. (2023) · Journal of Chemical Theory and Computation

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 41

Kinesin Has Three Nucleotide-dependent Conformations

Xing, J., Wriggers, W., Jefferson, G. M., Stein, R., Cheung, H. C., & Rosenfeld, S. S. (2000) · Journal of Biological Chemistry

Microtubule and mitosis dynamicsProtein Structure and Dynamics

Cited by 38

Molecular mechanisms of catalytic inhibition for active site mutations in glucose-6-phosphatase catalytic subunit 1 linked to glycogen storage disease

Sinclair, M., Stein, R. A., Sheehan, J. H., Hawes, E. M., O’Brien, R. M., Tajkhorshid, E., & Claxton, D. P. (2023) · PNAS Nexus

Glycogen Storage Diseases and MyoclonusProtein Structure and Dynamics

Cited by 8

Integrative analysis of pathogenic variants in glucose-6-phosphatase based on an AlphaFold2 model

Sinclair, M., Stein, R. A., Sheehan, J. H., Hawes, E. M., O’Brien, R. M., Tajkhorshid, E., & Claxton, D. P. (2024) · PNAS Nexus

Glycogen Storage Diseases and MyoclonusProtein Structure and Dynamics

Cited by 8