Modelling protein docking using shape complementarity, electrostatics and biochemical information HA Gabb, RM Jackson, MJE Sternberg Journal of molecular biology 272 (1), 106-120, 1997 | 1104 | 1997 |
Rapid refinement of protein interfaces incorporating solvation: application to the docking problem RM Jackson, HA Gabb, MJE Sternberg Journal of molecular biology 276 (1), 265-285, 1998 | 332 | 1998 |
Use of pair potentials across protein interfaces in screening predicted docked complexes G Moont, HA Gabb, MJE Sternberg Proteins: Structure, Function, and Bioinformatics 35 (3), 364-373, 1999 | 324 | 1999 |
Base-base and deoxyribose-base stacking interactions in B-DNA and Z-DNA: a quantum-chemical study J Sponer, HA Gabb, J Leszczynski, P Hobza Biophysical journal 73 (1), 76-87, 1997 | 236 | 1997 |
Predictive docking of protein—protein and protein—DNA complexes MJE Sternberg, HA Gabb, RM Jackson Current Opinion in Structural Biology 8 (2), 250-256, 1998 | 162 | 1998 |
Modelling repressor proteins docking to DNA P Aloy, G Moont, HA Gabb, E Querol, FX Aviles, MJE Sternberg Proteins: Structure, Function, and Bioinformatics 33 (4), 535-549, 1998 | 74 | 1998 |
Dual-level parallel analysis of harbor wave response using MPI and OpenMP SW Bova, CP Breshears, CE Cuicchi, Z Demirbilek, HA Gabb The International Journal of High Performance Computing Applications 14 (1 …, 2000 | 59 | 2000 |
Conformational transitions using molecular dynamics with minimum biasing SC Harvey, HA Gabb Biopolymers: Original Research on Biomolecules 33 (8), 1167-1172, 1993 | 55 | 1993 |
Parallel programming with message passing and directives SW Bova, CP Breshears, H Gabb, B Kuhn, B Magro, R Eigenmann, ... Computing in Science & Engineering 3 (5), 22-37, 2001 | 44 | 2001 |
An informatics approach to evaluating combined chemical exposures from consumer products: a case study of asthma-associated chemicals and potential endocrine disruptors HA Gabb, C Blake Environmental health perspectives 124 (8), 1155-1165, 2016 | 40 | 2016 |
Finding and visualizing nucleic acid base stacking HA Gabb, SR Sanghani, CH Robert, C Prevost Journal of Molecular Graphics 14 (1), 6-11, 1996 | 39 | 1996 |
Conformational transitions in potential and free energy space for furanoses and 2'-deoxynucleosides HA Gabb, SC Harvey Journal of the American Chemical Society 115 (10), 4218-4227, 1993 | 38 | 1993 |
Evaluation of graph analytics frameworks using the gap benchmark suite A Azad, MM Aznaveh, S Beamer, MP Blanco, J Chen, L D'Alessandro, ... 2020 IEEE International Symposium on Workload Characterization (IISWC), 216-227, 2020 | 32 | 2020 |
Protein-Protein Docking: Generation and Filtering of Complexes MJE Sternberg, HA Gabb, RM Jackson, G Moont Protein Structure Prediction: Methods and Protocols, 399-415, 2000 | 28 | 2000 |
Modeling large nucleic acids A Malhotra, HA Gabb, SC Harvey Current Opinion in Structural Biology 3 (2), 241-246, 1993 | 25 | 1993 |
A computational system for modelling flexible protein-protein and protein-DNA docking. MJ Sternberg, P Aloy, HA Gabb, RM Jackson, G Moont, E Querol, ... Proceedings. International Conference on Intelligent Systems for Molecular …, 1998 | 19 | 1998 |
Combining message-passing and directives in parallel applications S Bova, C Breshears, R Eigenmann, H Gabb, G Gaertner, B Kuhn, ... SIAM News 32 (9), 10-14, 1999 | 18 | 1999 |
Efficient conformational space sampling for nucleosides using internal coordinate Monte Carlo simulations and a modified furanose description HA Gabb, R Lavery, C Prévost Journal of computational chemistry 16 (6), 667-680, 1995 | 17 | 1995 |
Collective‐variable Monte Carlo simulation of DNA HA Gabb, C Prevost, G Bertucat, CH Robert, R Lavery Journal of computational chemistry 18 (16), 2001-2011, 1997 | 16 | 1997 |
Algorithm 821: A fortran interface to posix threads RJ Hanson, CP Breshears, HA Gabb ACM Transactions on Mathematical Software (TOMS) 28 (3), 354-371, 2002 | 15* | 2002 |