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Steven J Stuart

TitleProfessor
InstitutionClemson University
DepartmentDepartment of Chemistry
Address223 Hunter Hall
Clemson, South Carolina 29634
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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. Karabin M, Stuart SJ. Simulated annealing with adaptive cooling rates. J Chem Phys. 2020 Sep 21; 153(11):114103. PMID: 32962382.
      View in: PubMed
    2. Abramyan TM, Hyde-Volpe DL, Stuart SJ, Latour RA. Application of advanced sampling and analysis methods to predict the structure of adsorbed protein on a material surface. Biointerphases. 2017 05 17; 12(2):02D409. PMID: 28514864.
      View in: PubMed
    3. Kucukkal MU, Stuart SJ. Simulation of carbon nanotube welding through Ar bombardment. J Mol Model. 2017 Apr; 23(4):148. PMID: 28365822.
      View in: PubMed
    4. Abramyan TM, Snyder JA, Thyparambil AA, Stuart SJ, Latour RA. Cluster analysis of molecular simulation trajectories for systems where both conformation and orientation of the sampled states are important. J Comput Chem. 2016 08 05; 37(21):1973-82. PMID: 27292100.
      View in: PubMed
    5. Li X, Snyder JA, Stuart SJ, Latour RA. TIGER2 with solvent energy averaging (TIGER2A): An accelerated sampling method for large molecular systems with explicit representation of solvent. J Chem Phys. 2015 Oct 14; 143(14):144105. PMID: 26472361.
      View in: PubMed
    6. Abramyan TM, Snyder JA, Yancey JA, Thyparambil AA, Wei Y, Stuart SJ, Latour RA. Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene. Biointerphases. 2015 Jun 27; 10(2):021002. PMID: 25818122.
      View in: PubMed
    7. Snyder JA, Abramyan T, Yancey JA, Thyparambil AA, Wei Y, Stuart SJ, Latour RA. Development of a tuned interfacial force field parameter set for the simulation of protein adsorption to silica glass. Biointerphases. 2012 Dec; 7(1-4):56. PMID: 22941539.
      View in: PubMed
    8. Hur J, Stuart SJ. Modified reactive empirical bond-order potential for heterogeneous bonding environments. J Chem Phys. 2012 Aug 07; 137(5):054102. PMID: 22894327.
      View in: PubMed
    9. Kucukkal TG, Stuart SJ. Polarizable molecular dynamics simulations of aqueous dipeptides. J Phys Chem B. 2012 Aug 02; 116(30):8733-40. PMID: 22747103.
      View in: PubMed
    10. Knippenberg MT, Mikulski PT, Ryan KE, Stuart SJ, Gao G, Harrison JA. Bond-order potentials with split-charge equilibration: application to C-, H-, and O-containing systems. J Chem Phys. 2012 Apr 28; 136(16):164701. PMID: 22559498.
      View in: PubMed
    11. Biswas PK, Vellore NA, Yancey JA, Kucukkal TG, Collier G, Brooks BR, Stuart SJ, Latour RA. Simulation of multiphase systems utilizing independent force fields to control intraphase and interphase behavior. J Comput Chem. 2012 Jun 15; 33(16):1458-66. PMID: 22488548.
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    12. Collier G, Vellore NA, Yancey JA, Stuart SJ, Latour RA. Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces. Biointerphases. 2012 Dec; 7(1-4):24. PMID: 22589067.
      View in: PubMed
    13. Yancey JA, Vellore NA, Collier G, Stuart SJ, Latour RA. Development of molecular simulation methods to accurately represent protein-surface interactions: The effect of pressure and its determination for a system with constrained atoms. Biointerphases. 2010 Sep; 5(3):85-95. PMID: 21171722.
      View in: PubMed
    14. Vellore NA, Yancey JA, Collier G, Latour RA, Stuart SJ. Assessment of the transferability of a protein force field for the simulation of peptide-surface interactions. Langmuir. 2010 May 18; 26(10):7396-404. PMID: 20222735.
      View in: PubMed
    15. Collier G, Vellore NA, Latour RA, Stuart SJ. Development of molecular simulation methods to accurately represent protein-surface interactions: Method assessment for the calculation of electrostatic effects. Biointerphases. 2009 Dec; 4(4):57-64. PMID: 20408725.
      View in: PubMed
    16. Li X, Latour RA, Stuart SJ. TIGER2: an improved algorithm for temperature intervals with global exchange of replicas. J Chem Phys. 2009 May 07; 130(17):174106. PMID: 19425768.
      View in: PubMed
    17. O'Brien CP, Stuart SJ, Bruce DA, Latour RA. Modeling of peptide adsorption interactions with a poly(lactic acid) surface. Langmuir. 2008 Dec 16; 24(24):14115-24. PMID: 19360943.
      View in: PubMed
    18. Liu A, Stuart SJ. Empirical bond-order potential for hydrocarbons: adaptive treatment of van der Waals interactions. J Comput Chem. 2008 Mar; 29(4):601-11. PMID: 17786913.
      View in: PubMed
    19. Knippenberg MT, Stuart SJ, Cheng H. Molecular dynamics simulations on hydrogen adsorption in finite single walled carbon nanotube bundles. J Mol Model. 2008 May; 14(5):343-51. PMID: 18286311.
      View in: PubMed
    20. Wang F, Stuart SJ, Latour RA. Calculation of adsorption free energy for solute-surface interactions using biased replica-exchange molecular dynamics. Biointerphases. 2008; 3(1):9-18. PMID: 19768127.
      View in: PubMed
    21. Li X, O'Brien CP, Collier G, Vellore NA, Wang F, Latour RA, Bruce DA, Stuart SJ. An improved replica-exchange sampling method: temperature intervals with global energy reassignment. J Chem Phys. 2007 Oct 28; 127(16):164116. PMID: 17979328.
      View in: PubMed
    22. Knippenberg MT, Stuart SJ, Cooper AC, Pez GP, Cheng H. Physical adsorption strength in open systems. J Phys Chem B. 2006 Nov 23; 110(46):22957-60. PMID: 17107125.
      View in: PubMed
    23. Sharma R, Rez P, Treacy MM, Stuart SJ. In situ observation of the growth mechanisms of carbon nanotubes under diverse reaction conditions. J Electron Microsc (Tokyo). 2005 Jun; 54(3):231-7. PMID: 16123070.
      View in: PubMed
    24. Cheng H, Cooper AC, Pez GP, Kostov MK, Piotrowski P, Stuart SJ. Molecular dynamics simulations on the effects of diameter and chirality on hydrogen adsorption in single walled carbon nanotubes. J Phys Chem B. 2005 Mar 10; 109(9):3780-6. PMID: 16851425.
      View in: PubMed
    25. Raut VP, Agashe MA, Stuart SJ, Latour RA. Molecular dynamics simulations of peptide-surface interactions. Langmuir. 2005 Feb 15; 21(4):1629-39. PMID: 15697318.
      View in: PubMed
    26. Agashe M, Raut V, Stuart SJ, Latour RA. Molecular simulation to characterize the adsorption behavior of a fibrinogen gamma-chain fragment. Langmuir. 2005 Feb 01; 21(3):1103-17. PMID: 15667197.
      View in: PubMed
    27. Kum O, Dickson BM, Stuart SJ, Uberuaga BP, Voter AF. Parallel replica dynamics with a heterogeneous distribution of barriers: application to n-hexadecane pyrolysis. J Chem Phys. 2004 Nov 22; 121(20):9808-19. PMID: 15549854.
      View in: PubMed
    28. Wilson K, Stuart SJ, Garcia A, Latour RA. A molecular modeling study of the effect of surface chemistry on the adsorption of a fibronectin fragment spanning the 7-10th type III repeats. J Biomed Mater Res A. 2004 Jun 15; 69(4):686-98. PMID: 15162411.
      View in: PubMed
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