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Harold A. Scheraga :
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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 ] 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 ] 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 ] Ming-Hong Hao , Harold A. Scheraga Computational Approach to the Statistical Mechanics of Protein Folding. [Citation Graph (0, 0)][DBLP ] SC, 1995, pp:- [Conf ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] 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 ] Towards Temperature Dependent Coarse-grained Potential of Side-chain Interactions for Protein Folding Simulations. [Citation Graph (, )][DBLP ] Search in 0.005secs, Finished in 0.281secs