Harold A. Scheraga

2009
29	EE	Daniel R. Ripoll, Adam Liwo, Harold A. Scheraga: Global Optimization in Protein Folding. Encyclopedia of Optimization 2009: 1392-1411
28	EE	Jorge A. Vila, Héctor A. Baldoni, Harold A. Scheraga: Performance of density functional models to reproduce observed 13Calpha chemical shifts of proteins in solution. Journal of Computational Chemistry 30(6): 884-892 (2009)
2007
27	EE	Anna Jagielska, Harold A. Scheraga: Influence of temperature, friction, and random forces on folding of the B-domain of staphylococcal protein A: All-atom molecular dynamics in implicit solvent. Journal of Computational Chemistry 28(6): 1068-1082 (2007)
2005
26	EE	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. Journal of Computational Chemistry 26(14): 1472-1486 (2005)
2002
25	EE	J. A. Saunders, Kenneth D. Gibson, Harold A. Scheraga: Ab Initio Folding of Multiple-Chain Proteins. Pacific Symposium on Biocomputing 2002: 601-612
24	EE	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. Journal of Computational Chemistry 23(1): 28-34 (2002)
23	EE	Rajmund Kazmierkiewicz, Adam Liwo, Harold A. Scheraga: Energy-based reconstruction of a protein backbone from its -carbon trace by a Monte-Carlo method. Journal of Computational Chemistry 23(7): 715-723 (2002)
2000
22	EE	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. RECOMB 2000: 193-200
1999
21	EE	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. Journal of Computational Chemistry 20(2): 244-252 (1999)
20	EE	Jean-Yves Trosset, Harold A. Scheraga: Prodock: Software package for protein modeling and docking. Journal of Computational Chemistry 20(4): 412-427 (1999)
19	EE	William J. Wedemeyer, Harold A. Scheraga: Exact analytical loop closure in proteins using polynomial equations. Journal of Computational Chemistry 20(8): 819-844 (1999)
1998
18	EE	Daniel Oberlin, Harold A. Scheraga: B-spline method for energy minimization in grid-based molecular mechanics calculations. Journal of Computational Chemistry 19(1): 71-85 (1998)
17	EE	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. Journal of Computational Chemistry 19(3): 259-276 (1998)
1997
16	EE	Kenneth D. Gibson, Harold A. Scheraga: Energy minimization of rigid-geometry polypeptides with exactly closed disulfide loops. Journal of Computational Chemistry 18(3): 403-415 (1997)
15	EE	Yury N. Vorobjev, Harold A. Scheraga: A fast adaptive multigrid boundary element method for macromolecular electrostatic computations in a solvent. Journal of Computational Chemistry 18(4): 569-583 (1997)
14	EE	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. Journal of Computational Chemistry 18(7): 849-873 (1997)
13	EE	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. Journal of Computational Chemistry 18(7): 874-887 (1997)
12	EE	Joseph D. Augspurger, Harold A. Scheraga: An assessment of the accuracy of the RRIGS hydration potential: Comparison to solutions of the Poisson-Boltzmann equation. Journal of Computational Chemistry 18(8): 1072-1078 (1997)
11	EE	Jooyoung Lee, Harold A. Scheraga, Shelly Rackovsky: New optimization method for conformational energy calculations on polypeptides: Conformational space annealing. Journal of Computational Chemistry 18(9): 1222-1232 (1997)
1996
10		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. HPCN Europe 1996: 365-372
9	EE	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. Journal of Computational Chemistry 17(12): 1453-1480 (1996)
8	EE	Joseph D. Augspurger, Harold A. Scheraga: An efficient, differentiable hydration potential for peptides and proteins. Journal of Computational Chemistry 17(13): 1549-1558 (1996)
1995
7	EE	Ming-Hong Hao, Harold A. Scheraga: Computational Approach to the Statistical Mechanics of Protein Folding. SC 1995
6		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. Journal of Computational Chemistry 16(8): 1011-1027 (1995)
5		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. Journal of Computational Chemistry 16(9): 1153-1163 (1995)
1994
4		Kenneth D. Gibson, Harold A. Scheraga: A Rapid and Efficient Algorithm for Packing Polypeptide Chains by Energy Minimization. Journal of Computational Chemistry 15(12): 1403-1413 (1994)
3		Kenneth D. Gibson, Harold A. Scheraga: An Algorithm for Packing Regular Multistrand Polypeptide Structures by Energy Minimization. Journal of Computational Chemistry 15(12): 1414-1428 (1994)
1991
2		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. Nucleic Acids Research 19(1): 1-4 (1991)
1989
1		M. P. Weiner, Harold A. Scheraga: A set of Macintosh computer programs for the design and analysis of synthetic genes. Computer Applications in the Biosciences 5(3): 191-198 (1989)

Coauthor Index

1	Yelena A. Arnautova	[24]
2	Joseph D. Augspurger	[8] [12]
3	Héctor A. Baldoni	[28]
4	T. P. Begley	[2]
5	Betty Cheng	[9]
6	Maurizio Chinchio	[26]
7	Cezary Czaplewski	[17] [22] [24] [26]
8	C. M. Falcomer	[2]
9	B. Ganem	[2]
10	Kenneth D. Gibson	[3] [4] [5] [16] [25]
11	Malgorzata Groth	[17] [22]
12	Ming-Hong Hao	[7]
13	Steven Hotovy	[10]
14	Anna Jagielska	[27]
15	Mu Shik Jhon	[6]
16	M. S. Kay	[2]
17	Rajmund Kazmierkiewicz	[17] [22] [23]
18	Oh Young Kwon	[6]
19	Jooyoung Lee	[11] [22] [24]
20	Adam Liwo	[5] [13] [14] [17] [22] [23] [24] [29]
21	Marian Nanias	[26]
22	Akbar Nayeem	[9]
23	Kyoung Tai No	[6]
24	Timothy J. O'Donnell	[10]
25	Daniel Oberlin	[18]
26	Stanislaw Oldziej	[13] [14] [17] [22] [26]
27	Je Myung Park	[6]
28	Jaroslaw Pillardy	[22] [24]
29	Matthew R. Pincus	[13] [14] [17]
30	Marcia S. Pottle	[5] [10]
31	Shelly Rackovsky	[11] [13] [14] [17]
32	Daniel R. Ripoll	[5] [10] [22] [24] [29]
33	Sylwia Rodziewicz-Motowidlo	[22]
34	J. A. Saunders	[25]
35	Jean-Yves Trosset	[20] [21]
36	Jorge A. Vila	[28]
37	Yury N. Vorobjev	[15]
38	Ryszard J. Wawak	[13] [14] [17] [22]
39	William J. Wedemeyer	[19] [24]
40	M. P. Weiner	[1] [2]
41	M. R. Witmer	[2]

Colors in the list of coauthors