Mchaourab, Hassane S.

Sampling the conformational landscapes of transporters and receptors with AlphaFold2

del Alamo, D., Sala, D., Mchaourab, H. S., & Meiler, J. (2021) · eLife

Protein Structure and DynamicsReceptor Mechanisms and Signaling

Cited by 511

Sampling alternative conformational states of transporters and receptors with AlphaFold2

del Alamo, D., Sala, D., Mchaourab, H. S., & Meiler, J. (2022) · eLife

Protein Structure and DynamicsReceptor Mechanisms and Signaling

Cited by 511

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

Conformation of T4 Lysozyme in Solution. Hinge-Bending Motion and the Substrate-Induced Conformational Transition Studied by Site-Directed Spin Labeling

Mchaourab, H. S., Oh, K. J., Fang, C. J., & Hubbell, W. L. (1997) · Biochemistry

Protein Structure and DynamicsElectron Spin Resonance Studies

Cited by 198

Modeling conformational states of proteins with AlphaFold

Sala, D., Engelberger, F., Mchaourab, H. S., & Meiler, J. (2023) · Current Opinion in Structural Biology

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 182

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

Modeling of protein conformational changes with Rosetta guided by limited experimental data

Sala, D., del Alamo, D., Mchaourab, H. S., & Meiler, J. (2022) · Structure

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 30

Modeling of protein conformational changes with Rosetta guided by limited experimental data

Sala, D., del Alamo, D., Mchaourab, H. S., & Meiler, J. (2022) · Structure

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 30

Direct Observation of T4 Lysozyme Hinge-Bending Motion by Fluorescence Correlation Spectroscopy

Yirdaw, R. B., & Mchaourab, H. S. (2012) · Biophysical Journal

Protein Structure and DynamicsAdvanced Fluorescence Microscopy Techniques

Cited by 29

Principles of Alternating Access in Multidrug and Toxin Extrusion (MATE) Transporters

Claxton, D. P., Jagessar, K. L., & Mchaourab, H. S. (2021) · Journal of Molecular Biology

Drug Transport and Resistance MechanismsAntibiotic Resistance in Bacteria

Cited by 29

AlphaFold2 predicts the inward‐facing conformation of the multidrug transporter LmrP

del Alamo, D., Govaerts, C., & Mchaourab, H. S. (2021) · Proteins: Structure, Function, and Bioinformatics

Protein Structure and DynamicsDrug Transport and Resistance Mechanisms

Cited by 29

Template-free prediction of a new monotopic membrane protein fold and assembly by AlphaFold2

Gulsevin, A., Han, B., Porta, J. C., Mchaourab, H. S., Meiler, J., & Kenworthy, A. K. (2023) · Biophysical Journal

Protein Structure and DynamicsMachine Learning in Bioinformatics

Cited by 16

Template-free prediction of a new monotopic membrane protein fold and oligomeric assembly by Alphafold2

Gulsevin, A., Han, B., Porta, J. C., Mchaourab, H. S., Meiler, J., & Kenworthy, A. K. (2022) · Biophysical Journal

Protein Structure and DynamicsMachine Learning in Bioinformatics

Cited by 16