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

TitleProfessor
InstitutionUniversity of Colorado Boulder
DepartmentChemical & Biological Engin
Phone303/735-7517

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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. Sardar M, Ahmad N, Mushtaq M, Heinz H, Nur-E-Alam M, Ul-Haq Z. Unveiling Ligand-Induced Conformational Changes in Mutant AR-LBD: Molecular Dynamics Insights into the Androgen Receptor-Coactivator Mechanism. J Chem Inf Model. 2025 Sep 08; 65(17):9154-9176. PMID: 40841914.
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    2. Winetrout JJ, Li Z, Zhao Q, Gaber L, Unnikrishnan V, Varshney V, Xu Y, Wang Y, Heinz H. Prediction of carbon nanostructure mechanical properties and the role of defects using machine learning. Proc Natl Acad Sci U S A. 2025 Mar 11; 122(10):e2415068122. PMID: 40030034.
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    3. Winetrout JJ, Kanhaiya K, Kemppainen J, In 't Veld PJ, Sachdeva G, Pandey R, Damirchi B, van Duin A, Odegard GM, Heinz H. Implementing reactivity in molecular dynamics simulations with harmonic force fields. Nat Commun. 2024 Sep 11; 15(1):7945. PMID: 39261455.
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    4. Huang J, Peng B, Zhu C, Xu M, Liu Y, Liu Z, Zhou J, Wang S, Duan X, Heinz H, Huang Y. Surface molecular pump enables ultrahigh catalyst activity. Sci Adv. 2024 Sep 06; 10(36):eado3942. PMID: 39241069.
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    5. Gissinger JR, Nikiforov I, Afshar Y, Waters B, Choi MK, Karls DS, Stukowski A, Im W, Heinz H, Kohlmeyer A, Tadmor EB. Type Label Framework for Bonded Force Fields in LAMMPS. J Phys Chem B. 2024 Apr 04; 128(13):3282-3297. PMID: 38506668.
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    6. Tavakol M, Liu J, Hoff SE, Zhu C, Heinz H. Osteocalcin: Promoter or Inhibitor of Hydroxyapatite Growth? Langmuir. 2024 01 23; 40(3):1747-1760. PMID: 38181199.
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    7. Nguyen JA, Becker A, Kanhaiya K, Heinz H, Weimer AW. Analyzing the Li-Al-O Interphase of Atomic Layer-Deposited Al2O3 Films on Layered Oxide Cathodes Using Atomistic Simulations. ACS Appl Mater Interfaces. 2024 Jan 10; 16(1):1861-1875. PMID: 38124667.
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    8. Kanhaiya K, Nathanson M, In 't Veld PJ, Zhu C, Nikiforov I, Tadmor EB, Choi YK, Im W, Mishra RK, Heinz H. Accurate Force Fields for Atomistic Simulations of Oxides, Hydroxides, and Organic Hybrid Materials up to the Micrometer Scale. J Chem Theory Comput. 2023 Nov 28; 19(22):8293-8322. PMID: 37962992.
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    9. Heinz H, Joshi YM, Zeng H, Tsao HK, de Beer SJA, Koos E, Takahara A, Walker GC. 2023 Highlights in Interface Science and Engineering: A Collection of Virtual Special Issues. Langmuir. 2023 Aug 08; 39(31):10711-10714. PMID: 37551132.
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    10. Zhu C, Hoff SE, H?madi M, Heinz H. Accurate and Ultrafast Simulation of Molecular Recognition and Assembly on Metal Surfaces in Four Dimensions. ACS Nano. 2023 Jun 13; 17(11):9938-9952. PMID: 37260141.
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    11. Shao X, Zhu C, Kumar P, Wang Y, Lu J, Cha M, Yao L, Cao Y, Mao X, Heinz H, Kotov NA. Voltage-Modulated Untwist Deformations and Multispectral Optical Effects from Ion Intercalation into Chiral Ceramic Nanoparticles. Adv Mater. 2023 Apr; 35(16):e2206956. PMID: 36808775.
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    12. Nepal D, Kang S, Adstedt KM, Kanhaiya K, Bockstaller MR, Brinson LC, Buehler MJ, Coveney PV, Dayal K, El-Awady JA, Henderson LC, Kaplan DL, Keten S, Kotov NA, Schatz GC, Vignolini S, Vollrath F, Wang Y, Yakobson BI, Tsukruk VV, Heinz H. Hierarchically structured bioinspired nanocomposites. Nat Mater. 2023 01; 22(1):18-35. PMID: 36446962.
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    13. Kanhaiya K, Heinz H. Adsorption and Diffusion of Oxygen on Pure and Partially Oxidized Metal Surfaces in Ultrahigh Resolution. Nano Lett. 2022 Jul 13; 22(13):5392-5400. PMID: 35730668.
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    14. Hoff SE, Di Silvio D, Ziolo RF, Moya SE, Heinz H. Patterning of Self-Assembled Monolayers of Amphiphilic Multisegment Ligands on Nanoparticles and Design Parameters for Protein Interactions. ACS Nano. 2022 06 28; 16(6):8766-8783. PMID: 35603431.
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    15. Liang D, Liu J, Heinz H, Mason SE, Hamers RJ, Cui Q. Binding of polar and hydrophobic molecules at the LiCoO2 (001)-water interface: force field development and molecular dynamics simulations. Nanoscale. 2022 May 16; 14(18):7003-7014. PMID: 35470836.
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    16. Akkineni S, Zhu C, Chen J, Song M, Hoff SE, Bonde J, Tao J, Heinz H, Habelitz S, De Yoreo JJ. Amyloid-like amelogenin nanoribbons template mineralization via a low-energy interface of ion binding sites. Proc Natl Acad Sci U S A. 2022 05 10; 119(19):e2106965119. PMID: 35522709.
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    17. Choi YK, Kern NR, Kim S, Kanhaiya K, Afshar Y, Jeon SH, Jo S, Brooks BR, Lee J, Tadmor EB, Heinz H, Im W. CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems. J Chem Theory Comput. 2022 Jan 11; 18(1):479-493. PMID: 34871001.
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    18. Hoff SE, Liu J, Heinz H. Binding mechanism and binding free energy of amino acids and citrate to hydroxyapatite surfaces as a function of crystallographic facet, pH, and electrolytes. J Colloid Interface Sci. 2022 Jan; 605:685-700. PMID: 34365305.
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    19. Wang S, Hou K, Heinz H. Accurate and Compatible Force Fields for Molecular Oxygen, Nitrogen, and Hydrogen to Simulate Gases, Electrolytes, and Heterogeneous Interfaces. J Chem Theory Comput. 2021 Aug 10; 17(8):5198-5213. PMID: 34255965.
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    20. Du J, Katti D, Heinz H. Multiscale Experiments and Modeling in Biomaterials and Biological Materials, Part II. JOM (1989). 2021; 73(8):2332-2334. PMID: 34177213.
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    21. Wang S, Zhu E, Huang Y, Heinz H. Direct correlation of oxygen adsorption on platinum-electrolyte interfaces with the activity in the oxygen reduction reaction. Sci Adv. 2021 Jun; 7(24). PMID: 34108201.
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    22. Heinz O, Heinz H. Cement Interfaces: Current Understanding, Challenges, and Opportunities. Langmuir. 2021 Jun 01; 37(21):6347-6356. PMID: 34000196.
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    23. Du J, Katti D, Heinz H. Multiscale Experiments and Modeling in Biomaterials and Biological Materials, Part I. JOM (1989). 2021; 73(6):1673-1675. PMID: 33903789.
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    24. Ma YX, Hoff SE, Huang XQ, Liu J, Wan QQ, Song Q, Gu JT, Heinz H, Tay FR, Niu LN. Involvement of prenucleation clusters in calcium phosphate mineralization of collagen. Acta Biomater. 2021 01 15; 120:213-223. PMID: 32711082.
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    25. Liu J, Zeng J, Zhu C, Miao J, Huang Y, Heinz H. Interpretable molecular models for molybdenum disulfide and insight into selective peptide recognition. Chem Sci. 2020 Jul 21; 11(33):8708-8722. PMID: 34094188.
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    26. Shakya G, Hoff SE, Wang S, Heinz H, Ding X, Borden MA. Vaporizable endoskeletal droplets via tunable interfacial melting transitions. Sci Adv. 2020 Apr; 6(14):eaaz7188. PMID: 32284985.
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    27. Li S, Liu J, Ramesar NS, Heinz H, Xu L, Xu C, Kotov NA. Single- and multi-component chiral supraparticles as modular enantioselective catalysts. Nat Commun. 2019 10 23; 10(1):4826. PMID: 31645546.
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    28. Zhou J, Yang Y, Yang Y, Kim DS, Yuan A, Tian X, Ophus C, Sun F, Schmid AK, Nathanson M, Heinz H, An Q, Zeng H, Ercius P, Miao J. Observing crystal nucleation in four dimensions using atomic electron tomography. Nature. 2019 06; 570(7762):500-503. PMID: 31243385.
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    29. Jamil T, Gissinger JR, Garley A, Saikia N, Upadhyay AK, Heinz H. Dynamics of carbohydrate strands in water and interactions with clay minerals: influence of pH, surface chemistry, and electrolytes. Nanoscale. 2019 Jun 21; 11(23):11183-11194. PMID: 31150033.
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    30. Stewart RJ, Goyal S, Lee SH, Rammohan A, Park HH, Min K, Cho E, Heinz H. Constructing surface models of silicate glasses using molecular dynamics to understand the effect of pH on the hydration properties. J Chem Phys. 2019 May 07; 150(17):174703. PMID: 31067871.
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    31. Zhu E, Yan X, Wang S, Xu M, Wang C, Liu H, Huang J, Xue W, Cai J, Heinz H, Li Y, Huang Y. Peptide-Assisted 2-D Assembly toward Free-Floating Ultrathin Platinum Nanoplates as Effective Electrocatalysts. Nano Lett. 2019 06 12; 19(6):3730-3736. PMID: 31038977.
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    32. Oliver D, Michaelis M, Heinz H, Volkov VV, Perry CC. From phage display to structure: an interplay of enthalpy and entropy in the binding of the LDHSLHS polypeptide to silica. Phys Chem Chem Phys. 2019 Feb 20; 21(8):4663-4672. PMID: 30747204.
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    33. Zhu E, Wang S, Yan X, Sobani M, Ruan L, Wang C, Liu Y, Duan X, Heinz H, Huang Y. Long-Range Hierarchical Nanocrystal Assembly Driven by Molecular Structural Transformation. J Am Chem Soc. 2019 01 30; 141(4):1498-1505. PMID: 30475606.
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    34. Chen J, Zhu E, Liu J, Zhang S, Lin Z, Duan X, Heinz H, Huang Y, De Yoreo JJ. Building two-dimensional materials one row at a time: Avoiding the nucleation barrier. Science. 2018 12 07; 362(6419):1135-1139. PMID: 30523105.
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    35. Nathanson M, Kanhaiya K, Pryor A, Miao J, Heinz H. Atomic-Scale Structure and Stress Release Mechanism in Core-Shell Nanoparticles. ACS Nano. 2018 Dec 26; 12(12):12296-12304. PMID: 30457827.
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    36. Zhou J, Taylor M, Melinte GA, Shahani AJ, Dharmawardhana CC, Heinz H, Voorhees PW, Perepezko JH, Bustillo K, Ercius P, Miao J. Quantitative characterization of high temperature oxidation using electron tomography and energy-dispersive X-ray spectroscopy. Sci Rep. 2018 Jul 06; 8(1):10239. PMID: 29980704.
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    37. Sola-Rabada A, Michaelis M, Oliver DJ, Roe MJ, Colombi Ciacchi L, Heinz H, Perry CC. Interactions at the Silica-Peptide Interface: Influence of the Extent of Functionalization on the Conformational Ensemble. Langmuir. 2018 07 17; 34(28):8255-8263. PMID: 29924624.
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    38. Pryor A, Rana A, Xu R, Rodriguez JA, Yang Y, Gallagher-Jones M, Jiang H, Kanhaiya K, Nathanson M, Park J, Kim S, Kim S, Nam D, Yue Y, Fan J, Sun Z, Zhang B, Gardner DF, Dias CSB, Joti Y, Hatsui T, Kameshima T, Inubushi Y, Tono K, Lee JY, Yabashi M, Song C, Ishikawa T, Kapteyn HC, Murnane MM, Heinz H, Miao J. Single-shot 3D coherent diffractive imaging of core-shell nanoparticles with elemental specificity. Sci Rep. 2018 05 29; 8(1):8284. PMID: 29844398.
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    39. Geada IL, Ramezani-Dakhel H, Jamil T, Sulpizi M, Heinz H. Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard-Jones potential. Nat Commun. 2018 02 19; 9(1):716. PMID: 29459638.
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    40. Gissinger JR, Pramanik C, Newcomb B, Kumar S, Heinz H. Nanoscale Structure-Property Relationships of Polyacrylonitrile/CNT Composites as a Function of Polymer Crystallinity and CNT Diameter. ACS Appl Mater Interfaces. 2018 Jan 10; 10(1):1017-1027. PMID: 29231715.
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    41. Pramanik C, Gissinger JR, Kumar S, Heinz H. Carbon Nanotube Dispersion in Solvents and Polymer Solutions: Mechanisms, Assembly, and Preferences. ACS Nano. 2017 12 26; 11(12):12805-12816. PMID: 29179536.
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    42. Mishra RK, Weibel M, M?ller T, Heinz H, Flatt RJ. Energy-effective Grinding of Inorganic Solids Using Organic Additives. Chimia (Aarau). 2017 Aug 09; 71(7):451-460. PMID: 28779768.
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    43. Ramezani-Dakhel H, Bedford NM, Woehl TJ, Knecht MR, Naik RR, Heinz H. Nature of peptide wrapping onto metal nanoparticle catalysts and driving forces for size control. Nanoscale. 2017 Jun 22; 9(24):8401-8409. PMID: 28604905.
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    44. Diamanti E, Andreozzi P, Kirby C, Anguiano R, Yate L, Heinz H, Ziolo RF, Donath E, Moya SE. Study of the Impact of Polyanions on the Formation of Lipid Bilayers on Top of Polyelectrolyte Multilayers with Poly(allylamine hydrochloride) as the Top Layer. J Phys Chem B. 2017 02 09; 121(5):1158-1167. PMID: 28084736.
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    45. Heinz H, Ramezani-Dakhel H. Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities. Chem Soc Rev. 2016 Jan 21; 45(2):412-48. PMID: 26750724.
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    46. Xu R, Chen CC, Wu L, Scott MC, Theis W, Ophus C, Bartels M, Yang Y, Ramezani-Dakhel H, Sawaya MR, Heinz H, Marks LD, Ercius P, Miao J. Three-dimensional coordinates of individual atoms in materials revealed by electron?tomography. Nat Mater. 2015 Nov; 14(11):1099-103. PMID: 26390325.
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    47. Briggs BD, Bedford NM, Seifert S, Koerner H, Ramezani-Dakhel H, Heinz H, Naik RR, Frenkel AI, Knecht MR. Atomic-scale identification of Pd leaching in nanoparticle catalyzed C-C coupling: effects of particle surface disorder. Chem Sci. 2015 Nov 01; 6(11):6413-6419. PMID: 30090261.
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    48. Bedford NM, Ramezani-Dakhel H, Slocik JM, Briggs BD, Ren Y, Frenkel AI, Petkov V, Heinz H, Naik RR, Knecht MR. Elucidation of peptide-directed palladium surface structure for biologically tunable nanocatalysts. ACS Nano. 2015 May 26; 9(5):5082-92. PMID: 25905675.
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    49. Ruan L, Ramezani-Dakhel H, Lee C, Li Y, Duan X, Heinz H, Huang Y. A rational biomimetic approach to structure defect generation in colloidal nanocrystals. ACS Nano. 2014 Jul 22; 8(7):6934-44. PMID: 24937767.
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    50. Mishra RK, Fern?ndez-Carrasco L, Flatt RJ, Heinz H. A force field for tricalcium aluminate to characterize surface properties, initial hydration, and organically modified interfaces in atomic resolution. Dalton Trans. 2014 Jul 21; 43(27):10602-16. PMID: 24828263.
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    51. Coppage R, Slocik JM, Ramezani-Dakhel H, Bedford NM, Heinz H, Naik RR, Knecht MR. Exploiting localized surface binding effects to enhance the catalytic reactivity of peptide-capped nanoparticles. J Am Chem Soc. 2013 Jul 31; 135(30):11048-54. PMID: 23865951.
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    52. Ramezani-Dakhel H, Mirau PA, Naik RR, Knecht MR, Heinz H. Stability, surface features, and atom leaching of palladium nanoparticles: toward prediction of catalytic functionality. Phys Chem Chem Phys. 2013 Apr 21; 15(15):5488-92. PMID: 23474536.
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    53. Ruan L, Ramezani-Dakhel H, Chiu CY, Zhu E, Li Y, Heinz H, Huang Y. Tailoring molecular specificity toward a crystal facet: a lesson from biorecognition toward Pt{111}. Nano Lett. 2013 Feb 13; 13(2):840-6. PMID: 23320831.
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    54. Heinz H, Lin TJ, Mishra RK, Emami FS. Thermodynamically consistent force fields for the assembly of inorganic, organic, and biological nanostructures: the INTERFACE force field. Langmuir. 2013 Feb 12; 29(6):1754-65. PMID: 23276161.
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    55. Patwardhan SV, Emami FS, Berry RJ, Jones SE, Naik RR, Deschaume O, Heinz H, Perry CC. Chemistry of aqueous silica nanoparticle surfaces and the mechanism of selective peptide adsorption. J Am Chem Soc. 2012 Apr 11; 134(14):6244-56. PMID: 22435500.
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    56. Feng J, Slocik JM, Sarikaya M, Naik RR, Farmer BL, Heinz H. Influence of the shape of nanostructured metal surfaces on adsorption of single peptide molecules in aqueous solution. Small. 2012 Apr 10; 8(7):1049-59. PMID: 22323430.
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    57. Feng J, Cavicchi KA, Heinz H. Control over self-assembly of diblock copolymers on hexagonal and square templates for high area density circuit boards. ACS Nano. 2011 Dec 27; 5(12):9413-20. PMID: 22040321.
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    58. Coppage R, Slocik JM, Briggs BD, Frenkel AI, Heinz H, Naik RR, Knecht MR. Crystallographic recognition controls peptide binding for bio-based nanomaterials. J Am Chem Soc. 2011 Aug 17; 133(32):12346-9. PMID: 21774561.
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    59. Pandey RB, Heinz H, Feng J, Farmer BL. Biofunctionalization and immobilization of a membrane via peptide binding (CR3-1, S2) by a Monte Carlo simulation. J Chem Phys. 2010 Sep 07; 133(9):095102. PMID: 20831337.
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    60. Heinz H, Jha KC, Luettmer-Strathmann J, Farmer BL, Naik RR. Polarization at metal-biomolecular interfaces in solution. J R Soc Interface. 2011 Feb 06; 8(55):220-32. PMID: 20630881.
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    61. Heinz H. Computational screening of biomolecular adsorption and self-assembly on nanoscale surfaces. J Comput Chem. 2010 May; 31(7):1564-8. PMID: 19862812.
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    62. Heinz H, Farmer BL, Pandey RB, Slocik JM, Patnaik SS, Pachter R, Naik RR. Nature of molecular interactions of peptides with gold, palladium, and Pd-Au bimetal surfaces in aqueous solution. J Am Chem Soc. 2009 Jul 22; 131(28):9704-14. PMID: 19552440.
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    63. Hong G, Heinz H, Naik RR, Farmer BL, Pachter R. Toward understanding amino acid adsorption at metallic interfaces: a density functional theory study. ACS Appl Mater Interfaces. 2009 Feb; 1(2):388-92. PMID: 20353228.
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    64. Pandey RB, Heinz H, Feng J, Farmer BL, Slocik JM, Drummy LF, Naik RR. Adsorption of peptides (A3, Flg, Pd2, Pd4) on gold and palladium surfaces by a coarse-grained Monte Carlo simulation. Phys Chem Chem Phys. 2009 Mar 28; 11(12):1989-2001. PMID: 19280010.
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    65. Heinz H, Vaia RA, Farmer BL. Relation between packing density and thermal transitions of alkyl chains on layered silicate and metal surfaces. Langmuir. 2008 Apr 15; 24(8):3727-33. PMID: 18335964.
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    66. Heinz H, Vaia RA, Farmer BL. Interaction energy and surface reconstruction between sheets of layered silicates. J Chem Phys. 2006 Jun 14; 124(22):224713. PMID: 16784307.
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