University of Colorado Denver College of Liberal Arts and Sciences

Bio

Professional Background:

2003 – 2005, Minnesota Supercomputing Institute Scholar, University of Minnesota
2001 – 2003, Max-Planck Postdoctoral Fellow, Max-Planck-Institut für Kohlenforschung, Germany
2000 – 2001, Alexander von Humboldt Fellow, Universität-Wuppertal, Germany
1998 – 2000, Assistant Professor, University of Science and Technology of China, China

Research Activities:
Our research focuses on the development and applications of computational methods to study chemical and biological processes in complex environments. Examples include enzymatic reactions, protein-ligand binding, and ion transport.

Recognitions:
• NSF CAREER Award (2010, NSF)
• Excellence in Research & Creative Work Award (2007, College of Liberal Arts and Sciences, University of Colorado Denver)
• Research Corporation Cottrell College Science Award (2006, Research Corporation)

Select Publications

Pezeshki, S.; Lin, H. "Adaptive-Partitioning Redistributed Charge and Dipole Schemes for QM/MM Dynamics Simulations: On-the-fly Relocation of Boundaries that Pass through Covalent Bonds." J. Chem. Theory Comput., 2011, 7, 3625-3634.

Smith, M.; Lin, H. "Charge delocalization upon chloride ion binding in ClC chloride ion channels/transporters." Chem. Phys. Lett., 2011, 502, 112-117.

Ader, L.; Jones, D. N. M.; Lin, H. "Alcohol binding to the odorant binding protein LUSH: Multiple factors affecting binding affinities." Biochemistry, 2010, 49, 6136-6142.

Zhang, Y.; Lin, H. "Flexible-boundary QM/MM calculations: II. Partial charge transfer across the QM/MM boundary that passes through a covalent bond." Theor. Chem. Acc. 2010, 216, 315-322.

Zhang, Y.; Lin, H. "Quantum tunneling in testosterone 6β-hydroxylation by cytochrome P450: Reaction dynamics calculations employing multiconfiguration molecular-mechanical potential energy surfaces." J. Phys. Chem. A 2009, 113, 11501-11508.

Zhang, Y.; Lin, H. "Flexible-boundary quantum-mechanical/molecular-mechanical calculations: Partial charge transfer between the quantum-mechanical and molecular-mechanical subsystems." J. Chem. Theory Comput. 2008, 4, 414-425.

Zhang, Y.; Morisetti, P.; Kim, J.; Smith, L., Lin, H. "Regioselectivity preference of testosterone hydroxylation by cytochrome P450 3A4." Theor. Chem. Acc. 2008, 121, 313-319.

Zhang, Y.; Lin, H.; Truhlar, D. G. "Self-consistent polarization of the boundary in the redistributed charge and dipole scheme for combined quantum mechanical and molecular mechanical calculations." J. Chem. Theory Comput. 2007, 3, 1378-1398.

Lin, H.; Truhlar, D. G. "QM/MM: What have we learned, where are we, and where do we go from here?" Theor. Chem. Acc. 2007, 117, 185-199.

Heyden, A.; Lin, H.; Truhlar, D. G. "Adaptive partitioning in combined quantum mechanical and molecular mechanical calculations of potential energy functions for multiscale simulations." J. Phys. Chem. B 2007, 111, 2231-2241.

Lin, H.; Zhao, Y.; Tischchenko, O.; Truhlar, D. G. "Multiconfiguration molecular mechanics based on combined quantum mechanical and molecular mechanical calculations." J. Chem. Theory Comput. 2006, 2, 1237-1254.

Lin, H.; Truhlar, D. G. "Redistributed charge and dipole schemes for combined quantum-mechanical and molecule mechanical calculations." J. Phys. Chem. A 2005, 109, 3991-4004.

Courses Taught

CHEM 2031 and CHEM 2061: General Chemistry I & II 
CHEM 4511 and CHEM 4521: Physical Chemistry I & II 
CHEM 4518 and CHEM 4538: Physical Chemistry Lab I & II 
CHEM 5510: Computational Chemistry
CHEM 5530: Advanced Physical Chemistry
CHEM 5600: Molecular Modeling and Simulations