Colorado PROFILES, The Colorado Clinical and Translational Sciences Institute (CCTSI)
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Last Name
Institution

Hai Lin

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


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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. Chon NL, Tran S, Miller CS, Lin H, Knight JD. A conserved electrostatic membrane-binding surface in synaptotagmin-like proteins revealed using molecular phylogenetic analysis and homology modeling. Protein Sci. 2024 Jan; 33(1):e4850. PMID: 38038838.
      View in: PubMed
    2. Tran AL, Guidez EB, Lin H. Adaptive-Partitioning Multilayer Dynamics Simulations: 2. Implementations of the Permuted and Interpolated Adaptive-Partitioning Gradients. J Phys Chem A. 2023 Dec 07; 127(48):10320-10333. PMID: 38058156.
      View in: PubMed
    3. Chon NL, Tran S, Miller CS, Lin H, Knight JD. A Conserved Electrostatic Membrane-Binding Surface in Synaptotagmin-Like Proteins Revealed Using Molecular Phylogenetic Analysis and Homology Modeling. bioRxiv. 2023 Oct 29. PMID: 37502952.
      View in: PubMed
    4. Chon NL, Schultz NJ, Zheng H, Lin H. Anion Pathways in the NarK Nitrate/Nitrite Exchanger. J Chem Inf Model. 2023 08 28; 63(16):5142-5152. PMID: 37585651.
      View in: PubMed
    5. Talachutla S, Bhat S, Duster AW, Lin H. Improved Indicator Algorithms for Tracking a Hydrated Proton as A Local Structural Defect in Grotthuss Diffusion in Aqueous Solutions. Chem Phys Lett. 2021 Dec; 784. PMID: 34707321.
      View in: PubMed
    6. Mato J, Duster AW, Guidez EB, Lin H. Adaptive-Partitioning Multilayer Dynamics Simulations: 1. On-the-Fly Switch between Two Quantum Levels of Theory. J Chem Theory Comput. 2021 Sep 14; 17(9):5456-5465. PMID: 34448578.
      View in: PubMed
    7. Alnaas AA, Watson-Siriboe A, Tran S, Negussie M, Henderson JA, Osterberg JR, Chon NL, Harrott BM, Oviedo J, Lyakhova T, Michel C, Reisdorph N, Reisdorph R, Shearn CT, Lin H, Knight JD. Multivalent lipid targeting by the calcium-independent C2A domain of synaptotagmin-like protein 4/granuphilin. J Biol Chem. 2021 Jan-Jun; 296:100159. PMID: 33277360.
      View in: PubMed
    8. Duster AW, Lin H. Riding elevators into and out of cells. Elife. 2020 10 13; 9. PMID: 33047673.
      View in: PubMed
    9. Duster AW, Lin H. Tracking Proton Transfer through Titratable Amino Acid Side Chains in Adaptive QM/MM Simulations. J Chem Theory Comput. 2019 Nov 12; 15(11):5794-5809. PMID: 31553601.
      View in: PubMed
    10. Duster AW, Garza CM, Aydintug BO, Negussie MB, Lin H. Adaptive Partitioning QM/MM for Molecular Dynamics Simulations: 6. Proton Transport through a Biological Channel. J Chem Theory Comput. 2019 Feb 12; 15(2):892-905. PMID: 30642175.
      View in: PubMed
    11. Duster AW, Wang CH, Lin H. Adaptive QM/MM for Molecular Dynamics Simulations: 5. On the Energy-Conserved Permuted Adaptive-Partitioning Schemes. Molecules. 2018 Aug 28; 23(9). PMID: 30154373.
      View in: PubMed
    12. Wang CH, Duster AW, Aydintug BO, Zarecki MG, Lin H. Chloride Ion Transport by the E. coli CLC Cl-/H+ Antiporter: A Combined Quantum-Mechanical and Molecular-Mechanical Study. Front Chem. 2018; 6:62. PMID: 29594103.
      View in: PubMed
    13. 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 09 14; 121(36):8585-8592. PMID: 28820594.
      View in: PubMed
    14. 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
    15. 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.
      View in: PubMed
    16. 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
    17. 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
    18. 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
    19. 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
    20. 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
    21. 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
    22. 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
    23. 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.
      View in: PubMed
    24. 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
    25. 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
    26. 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
    27. 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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