2021
Publications Heading link
272. G. Hu and H.-X. Zhou (2021). Binding free energy decomposition and multiple unbinding paths of buried ligands in a PreQ1 riboswitch. PLoS Comput. Biol. 17, e1009603. pdf
271. A. Ghosh, D. Kota, and H.-X. Zhou (2021). Shear relaxation governs fusion dynamics of biomolecular condensates. Nat. Commun. 12, 5995. pdf
270. H.-X. Zhou (2021). Shape recovery of deformed biomolecular droplets: Dependence on condensate viscoelasticity. J. Chem. Physs. 155, 145102. pdf
269. A. Hicks, M. MacAinsh, and H.-X. Zhou (2021). Removing thermostat distortions of protein dynamics in constant-temperature molecular dynamics simulations. J. Chem. Theory Comput. 17, 5920-5932. pdf
268. A. Gupta and H.-X. Zhou (2021). Machine learning-enabled pipeline for large-scale virtual drug screening. J. Chem. Inf. Model. 61, 4236-4244. pdf
267. S.-H. Ahn, S. Qin, J. Zhang, J. A. McCammon, J. Zhang, J., and H.-X. Zhou (2021). Characterizing protein kinase A (PKA) subunits as macromolecular regulators of PKA RIα liquid-liquid phase separation. J. Chem. Phys. 154, 221101. pdf
266. Y. Yang, H. Dong, and H.-X. Zhou (2021). Effects of cholesterol on the partitioning of a drug molecule in lipid bilayers. J. Phys. Chem. B 125, 5338-5345. pdf
265. K. Mazarakos and H.-X. Zhou (2021). Macromolecular regulators have matching effects on the phase equilibrium and interfacial tension of biomolecular condensates. Protein Sci. 30, 1360-1370. pdf
264. H.-X. Zhou (2021). Viscoelasticity of biomolecular condensates conforms to the Jeffreys model. J. Chem. Phys. 154, 041103. pdf
263. A. Hicks, C. A. Escobar, T. A. Cross, and H.-X. Zhou (2021). Fuzzy association of an intrinsically disordered protein with acidic membranes. JACS Au 1, 66-78. pdf