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Hai Lin

TitleProfessor
InstitutionUniversity of Colorado Denver - Denver Campus
DepartmentCLAS-Chemistry
Phone303/315-7656

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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Faculty can login to make corrections and additions.
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    1. Duster AW, Lin H. Restrained Proton Indicator in Combined Quantum-Mechanics/Molecular-Mechanics Dynamics Simulations of Proton Transfer through a Carbon Nanotube. J Phys Chem B. 2017 Sep 14; 121(36):8585-8592. PMID: 28820594.
      View in: PubMed
    2. Wang M, Gorham JM, Killgore JP, Omidvar M, Lin H, DelRio FW, Cox LM, Zhang Z, Ding Y. Formation of a Crack-Free, Hybrid Skin Layer with Tunable Surface Topography and Improved Gas Permeation Selectivity on Elastomers Using Gel-Liquid Infiltration Polymerization. ACS Appl Mater Interfaces. 2017 Aug 23; 9(33):28100-28106. PMID: 28758394.
      View in: PubMed
    3. Osterberg JR, Chon NL, Boo A, Maynard FA, Lin H, Knight JD. Membrane Docking of the Synaptotagmin 7 C2A Domain: Electron Paramagnetic Resonance Measurements Show Contributions from Two Membrane Binding Loops. Biochemistry. 2015 Sep 22; 54(37):5684-95. PMID: 26322740; PMCID: PMC4630001 [Available on 09/22/16].
    4. Chon NL, Osterberg JR, Henderson J, Khan HM, Reuter N, Knight JD, Lin H. Membrane Docking of the Synaptotagmin 7 C2A Domain: Computation Reveals Interplay between Electrostatic and Hydrophobic Contributions. Biochemistry. 2015 Sep 22; 54(37):5696-711. PMID: 26333120.
      View in: PubMed
    5. Pezeshki S, Lin H. Adaptive-partitioning QM/MM for molecular dynamics simulations: 4. Proton hopping in bulk water. J Chem Theory Comput. 2015 Jun 09; 11(6):2398-411. PMID: 26575540.
      View in: PubMed
    6. Pezeshki S, Davis C, Heyden A, Lin H. Adaptive-Partitioning QM/MM Dynamics Simulations: 3. Solvent Molecules Entering and Leaving Protein Binding Sites. J Chem Theory Comput. 2014 Nov 11; 10(11):4765-76. PMID: 26584363.
      View in: PubMed
    7. Pezeshki S, Lin H. Molecular dynamics simulations of ion solvation by flexible-boundary QM/MM: on-the-fly partial charge transfer between QM and MM subsystems. J Comput Chem. 2014 Sep 15; 35(24):1778-88. PMID: 25056247.
      View in: PubMed
    8. Damrauer R, Lin H, Damrauer NH. Computational studies of carbodiimide rings. J Org Chem. 2014 May 02; 79(9):3781-8. PMID: 24716711.
      View in: PubMed
    9. Church J, Pezeshki S, Davis C, Lin H. Charge transfer and polarization for chloride ions bound in ClC transport proteins: natural bond orbital and energy decomposition analyses. J Phys Chem B. 2013 Dec 19; 117(50):16029-43. PMID: 24261529.
      View in: PubMed
    10. 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 Nov 08; 7(11):3625-34. PMID: 26598259.
      View in: PubMed
    11. Ader L, Jones DN, Lin H. Alcohol binding to the odorant binding protein LUSH: multiple factors affecting binding affinities. Biochemistry. 2010 Jul 27; 49(29):6136-42. PMID: 20550105; PMCID: PMC4396708.
    12. Zhang Y, Lin H. Quantum tunneling in testosterone 6beta-hydroxylation by cytochrome P450: reaction dynamics calculations employing multiconfiguration molecular-mechanical potential energy surfaces. J Phys Chem A. 2009 Oct 29; 113(43):11501-8. PMID: 19480428.
      View in: PubMed
    13. 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 Mar; 4(3):414-25. PMID: 26620782.
      View in: PubMed
    14. Zhang Y, Lin H, Truhlar DG. 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 Jul; 3(4):1378-98. PMID: 26633210.
      View in: PubMed
    15. Lin H, Zhao Y, Tishchenko O, Truhlar DG. Multiconfiguration Molecular Mechanics Based on Combined Quantum Mechanical and Molecular Mechanical Calculations. J Chem Theory Comput. 2006 Sep; 2(5):1237-54. PMID: 26626833.
      View in: PubMed
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