个人简介

Ph.D., Stanford University

研究领域

Physical Chemistry

Research in the Young lab focuses on the development of computational tools that can aid in the discovery and rational design of new drugs.

近期论文

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Armaiz-Pena, G. N., Allen, J. K., Cruz, A., Stone, R. L., Nick, A. M., Lin, Y. G., Han, L. Y., Mangala, L. S., Villares, G. J., Vivas-Mejia, P., Rodriguez-Aguayo, C., Nagaraja, A. S., Gharpure, K. M., Wu, Z., English, R. D., Soman, K. V., Shazhad, M. M. K., Zigler, M., Deavers, M. T., Zien, A., Soldatos, T. G., Jackson, D. B., Wiktorowicz, J. E., Torres-Lugo, M., Young, T., Geest, K. De, Gallick, G. E., Bar-Eli, M., Lopez-Berestein, G., Cole, S. W., Lopez, G. E., Lutgendorf, S. K., & Sood, A. K. “Src Activation by β-Adrenoreceptors Is a Key Switch for Tumour Metastasis” Nature Communications 4, (2013): 1403. doi:10.1038/ncomms2413. PDF Nguyen, C., Kurtzman Young, T. & Gilson, M. K. Inhomogeneous Solvation Theory: Hydration Structure and Thermodynamics of the Miniature Receptor Cucubit[7]uril. The Journal of Chemical Physics (2012). PDF Nguyen, C., Gilson, M. K. & Young, T. Structure and Thermodynamics of Molecular Hydration via Grid Inhomogeneous Solvation Theory. arXiv:1108.4876 (2011). PDF Young, T., Abel, R., Friesner, R. A. & Berne, B. J. Methods Of Calculating Differences Of Binding Affinities Between Congeneric Pairs Of Ligands By Way Of A Displaced Solvent Functional, U.S. Patent 7756674, U.S. Patent 7970580, U.S. Patent 7970581. (2011). 7756674, 7970580, 7970581 Young, T. et al. Dewetting transitions in protein cavities. Proteins: Structure, Function, and Bioinformatics 78, 1856–1869 (2010). PDF Abel, R., Young, T., Farid, R., Berne, B. J. & Friesner, R. A. The role of the active site solvent in the thermodynamics of factor Xa-ligand binding. J Am Chem Soc 130, 2817–2831 (2008). PDF Young, T., Abel, R., Kim, B., Berne, B. J. & Friesner, R. A. Motifs for molecular recognition exploiting hydrophobic enclosure in protein–ligand binding. Proceedings of the National Academy of Sciences 104, 808 –813 (2007). PDF Kim, B., Young, T., Harder, E., Friesner, R. A. & Berne, B. J. Structure and Dynamics of the Solvation of Bovine Pancreatic Trypsin Inhibitor in Explicit Water: A Comparative Study of the Effects of Solvent and Protein Polarizability. J Phys Chem B 109, 16529-16538 (2005). PDF Young, T. & Andersen, H. C. Tests of an approximate scaling principle for dynamics of classical fluids. J Phys Chem B 109, 2985–2994 (2005). PDF Young, T. & Andersen, H. C. A scaling principle for the dynamics of density fluctuations in atomic liquids. The Journal of Chemical Physics 118, 3447 (2003). PDF Pitts, S. J., Young, T. & Andersen, H. C. Facilitated spin models, mode coupling theory, and ergodic–nonergodic transitions. The Journal of Chemical Physics 113, 8671 (2000). PDF