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Harold A. Scheraga: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Timothy J. O'Donnell, Steven Hotovy, Marcia S. Pottle, Daniel R. Ripoll, Harold A. Scheraga
    Implementation of ECEPP-Based Programs on the IBM SP2 and the SGI Power Challenge Computers. [Citation Graph (0, 0)][DBLP]
    HPCN Europe, 1996, pp:365-372 [Conf]
  2. J. A. Saunders, Kenneth D. Gibson, Harold A. Scheraga
    Ab Initio Folding of Multiple-Chain Proteins. [Citation Graph (0, 0)][DBLP]
    Pacific Symposium on Biocomputing, 2002, pp:601-612 [Conf]
  3. Adam Liwo, Jaroslaw Pillardy, Cezary Czaplewski, JooYoung Lee, Daniel R. Ripoll, Malgorzata Groth, Sylwia Rodziewicz-Motowidlo, Rajmund Kazmierkiewicz, Ryszard J. Wawak, Stanislaw Oldziej, Harold A. Scheraga
    UNRES: a united-residue force field for energy-based prediction of protein structure - orgin and significance of multibody terms. [Citation Graph (0, 0)][DBLP]
    RECOMB, 2000, pp:193-200 [Conf]
  4. Ming-Hong Hao, Harold A. Scheraga
    Computational Approach to the Statistical Mechanics of Protein Folding. [Citation Graph (0, 0)][DBLP]
    SC, 1995, pp:- [Conf]
  5. M. P. Weiner, Harold A. Scheraga
    A set of Macintosh computer programs for the design and analysis of synthetic genes. [Citation Graph (0, 0)][DBLP]
    Computer Applications in the Biosciences, 1989, v:5, n:3, pp:191-198 [Journal]
  6. Joseph D. Augspurger, Harold A. Scheraga
    An efficient, differentiable hydration potential for peptides and proteins. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:13, pp:1549-1558 [Journal]
  7. Joseph D. Augspurger, Harold A. Scheraga
    An assessment of the accuracy of the RRIGS hydration potential: Comparison to solutions of the Poisson-Boltzmann equation. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:8, pp:1072-1078 [Journal]
  8. Betty Cheng, Akbar Nayeem, Harold A. Scheraga
    From secondary structure to three-dimensional structure: Improved dihedral angle probability distribution function for use with energy searches for native structures of polypeptides and proteins. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:12, pp:1453-1480 [Journal]
  9. Kenneth D. Gibson, Harold A. Scheraga
    A Rapid and Efficient Algorithm for Packing Polypeptide Chains by Energy Minimization. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1994, v:15, n:12, pp:1403-1413 [Journal]
  10. Kenneth D. Gibson, Harold A. Scheraga
    An Algorithm for Packing Regular Multistrand Polypeptide Structures by Energy Minimization. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1994, v:15, n:12, pp:1414-1428 [Journal]
  11. Kenneth D. Gibson, Harold A. Scheraga
    Energy minimization of rigid-geometry polypeptides with exactly closed disulfide loops. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:3, pp:403-415 [Journal]
  12. Rajmund Kazmierkiewicz, Adam Liwo, Harold A. Scheraga
    Energy-based reconstruction of a protein backbone from its -carbon trace by a Monte-Carlo method. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:7, pp:715-723 [Journal]
  13. Adam Liwo, Matthew R. Pincus, Ryszard J. Wawak, Shelly Rackovsky, Stanislaw Oldziej, Harold A. Scheraga
    A united-residue force field for off-lattice protein-structure simulations. II. Parameterization of short-range interactions and determination of weights of energy terms by Z-score optimization. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:7, pp:874-887 [Journal]
  14. Adam Liwo, Rajmund Kazmierkiewicz, Cezary Czaplewski, Malgorzata Groth, Stanislaw Oldziej, Ryszard J. Wawak, Shelly Rackovsky, Matthew R. Pincus, Harold A. Scheraga
    United-residue force field for off-lattice protein-structure simulations: III. Origin of backbone hydrogen-bonding cooperativity in united-residue potentials. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1998, v:19, n:3, pp:259-276 [Journal]
  15. Adam Liwo, Stanislaw Oldziej, Matthew R. Pincus, Ryszard J. Wawak, Shelly Rackovsky, Harold A. Scheraga
    A united-residue force field for off-lattice protein-structure simulations. I. Functional forms and parameters of long-range side-chain interaction potentials from protein crystal data. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:7, pp:849-873 [Journal]
  16. JooYoung Lee, Harold A. Scheraga, Shelly Rackovsky
    New optimization method for conformational energy calculations on polypeptides: Conformational space annealing. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1222-1232 [Journal]
  17. Daniel Oberlin, Harold A. Scheraga
    B-spline method for energy minimization in grid-based molecular mechanics calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1998, v:19, n:1, pp:71-85 [Journal]
  18. Je Myung Park, Oh Young Kwon, Kyoung Tai No, Mu Shik Jhon, Harold A. Scheraga
    Determination of Net Atomics Charges Using a Modified Partial Equalization or Orbital Electronegativity Method. IC. Application to Hypervalent Sulfur and Phosphorus-Containing Molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:8, pp:1011-1027 [Journal]
  19. Daniel R. Ripoll, Marcia S. Pottle, Kenneth D. Gibson, Harold A. Scheraga, Adam Liwo
    Implementation of the ECEPP Algorithm, the Monte Carlo Minimization Method, and the Electrostatically Driven Monte Carlo Method on the Kendall Square Research KSR1 Computer. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:9, pp:1153-1163 [Journal]
  20. Harold A. Scheraga, Jaroslaw Pillardy, Adam Liwo, JooYoung Lee, Cezary Czaplewski, Daniel R. Ripoll, William J. Wedemeyer, Yelena A. Arnautova
    Evolution of physics-based methodology for exploring the conformational energy landscape of proteins. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:1, pp:28-34 [Journal]
  21. Jean-Yves Trosset, Harold A. Scheraga
    Flexible docking simulations: Scaled collective variable Monte Carlo minimization approach using Bezier splines, and comparison with a standard Monte Carlo algorithm. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:2, pp:244-252 [Journal]
  22. Jean-Yves Trosset, Harold A. Scheraga
    Prodock: Software package for protein modeling and docking. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:4, pp:412-427 [Journal]
  23. Yury N. Vorobjev, Harold A. Scheraga
    A fast adaptive multigrid boundary element method for macromolecular electrostatic computations in a solvent. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:4, pp:569-583 [Journal]
  24. William J. Wedemeyer, Harold A. Scheraga
    Exact analytical loop closure in proteins using polynomial equations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:8, pp:819-844 [Journal]
  25. Marian Nanias, Maurizio Chinchio, Stanislaw Oldziej, Cezary Czaplewski, Harold A. Scheraga
    Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMC. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:14, pp:1472-1486 [Journal]
  26. M. R. Witmer, C. M. Falcomer, M. P. Weiner, M. S. Kay, T. P. Begley, B. Ganem, Harold A. Scheraga
    U-3'-BCIP: a chromogenic substrate for the detection of RNase A in recombinant DNA expression systems. [Citation Graph (0, 0)][DBLP]
    Nucleic Acids Research, 1991, v:19, n:1, pp:1-4 [Journal]

  27. Towards Temperature Dependent Coarse-grained Potential of Side-chain Interactions for Protein Folding Simulations. [Citation Graph (, )][DBLP]


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