Cui, Qiang

Semiempirical quantum mechanical methods for noncovalent interactions for chemical and biochemical applications.

Christensen, A. S., Kubař, T., Cui, Q., & Elstner, M. (2016) · Chemical Reviews

Advanced Chemical Physics StudiesCrystallography and molecular interactions

Cited by 446

Is a “Proton Wire” Concerted or Stepwise? A Model Study of Proton Transfer in Carbonic Anhydrase

Cui, Q., & Karplus, M. (2003) · The Journal of Physical Chemistry B

Enzyme function and inhibitionPhysical Organic Chemistry and Reaction Kinetics

Cited by 164

CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed

Hwang, W., Austin, S. L., Blondel, A., Boittier, E. D., Boresch, S., Buck, M., Buckner, J., Caflisch, A., Chang, H.-T., Cheng, X., et al. (2024) · The Journal of Physical Chemistry B

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 136

Toward Theoretical Analyis of Long-Range Proton Transfer Kinetics in Biomolecular Pumps

König, P. H., Ghosh, N., Hoffmann, M., Elstner, M., Tajkhorshid, E., Frauenheim, T., & Cui, Q. (2006) · The Journal of Physical Chemistry A

Advanced Chemical Physics StudiesProtein Structure and Dynamics

Cited by 114

Identification of the Ah-Receptor Structural Determinants for Ligand Preferences

Xing, Y., Nukaya, M., Satyshur, K. A., Jiang, L., Stanevich, V., Korkmaz, E. N., Burdette, L., Kennedy, G. D., Cui, Q., & Bradfield, C. A. (2012) · Toxicological Sciences

Toxic Organic Pollutants ImpactProtein Structure and Dynamics

Cited by 67

Deep mutational scanning and machine learning reveal structural and molecular rules governing allosteric hotspots in homologous proteins

Leander, M., Liu, Z., Cui, Q., & Raman, S. (2022) · eLife

Protein Structure and DynamicsBacterial Genetics and Biotechnology

Cited by 54

The juxtamembrane linker of synaptotagmin 1 regulates Ca2+ binding via liquid-liquid phase separation

Mehta, N., Mondal, S., Watson, E. T., Cui, Q., & Chapman, E. R. (2024) · Nature Communications

Cellular transport and secretionLipid Membrane Structure and Behavior

Cited by 28

Molecular mechanism of GTP binding- and dimerization-induced enhancement of Sar1-mediated membrane remodeling

Paul, S., Audhya, A., & Cui, Q. (2022) · Proceedings of the National Academy of Sciences

Cellular transport and secretionLipid Membrane Structure and Behavior

Cited by 22

Comparison of native and non-native ubiquitin oligomers reveals analogous structures and reactivities

Pham, G. H., Rana, A. S. J. B., Korkmaz, E. N., Trang, V. H., Cui, Q., & Strieter, E. R. (2016) · Protein Science

Ubiquitin and proteasome pathwaysEnzyme Structure and Function

Cited by 21

The coiled-coil domain of Escherichia coli FtsLB is a structurally detuned element critical for modulating its activation in bacterial cell division

Craven, S. J., Condon, S. G. F., Díaz Vázquez, G., Cui, Q., & Senes, A. (2022) · Journal of Biological Chemistry

Bacterial Genetics and BiotechnologyBiochemical and Structural Characterization

Cited by 15