| Vibrational spectroscopic map, vibrational spectroscopy, and intermolecular interaction CR Baiz, B Błasiak, J Bredenbeck, M Cho, JH Choi, SA Corcelli, ... Chemical reviews 120 (15), 7152-7218, 2020 | 402 | 2020 |
| Prediction of glycosylation sites using random forests SE Hamby, JD Hirst BMC bioinformatics 9 (1), 500, 2008 | 289 | 2008 |
| Circular and linear dichroism of proteins BM Bulheller, A Rodger, JD Hirst Physical Chemistry Chemical Physics 9 (17), 2020-2035, 2007 | 281 | 2007 |
| Machine learning in virtual screening JL Melville, EK Burke, JD Hirst Combinatorial chemistry & high throughput screening 12 (4), 332-343, 2009 | 259 | 2009 |
| Modeling the amide I bands of small peptides T la Cour Jansen, AG Dijkstra, TM Watson, JD Hirst, J Knoester The Journal of chemical physics 125 (4), 2006 | 252 | 2006 |
| Multimeme algorithms for protein structure prediction N Krasnogor, BP Blackburne, EK Burke, JD Hirst International Conference on Parallel Problem Solving from Nature, 769-778, 2002 | 246 | 2002 |
| Electronic circular dichroism spectroscopy of proteins DM Rogers, SB Jasim, NT Dyer, F Auvray, M Réfrégiers, JD Hirst Chem 5 (11), 2751-2774, 2019 | 234 | 2019 |
| Assessing energy functions for flexible docking M Vieth, JD Hirst, A Kolinski, CL Brooks III Journal of Computational Chemistry 19 (14), 1612-1622, 1998 | 226 | 1998 |
| Theoretical studies toward quantitative protein circular dichroism calculations NA Besley, JD Hirst Journal of the American Chemical Society 121 (41), 9636-9644, 1999 | 191 | 1999 |
| Prediction of structural and functional features of protein and nucleic acid sequences by artificial neural networks JD Hirst, MJE Sternberg Biochemistry 31 (32), 7211-7218, 1992 | 184 | 1992 |
| Contemporary QSAR classifiers compared CL Bruce, JL Melville, SD Pickett, JD Hirst Journal of chemical information and modeling 47 (1), 219-227, 2007 | 180 | 2007 |
| Assessing search strategies for flexible docking M Vieth, JD Hirst, BN Dominy, H Daigler, CL Brooks III Journal of computational chemistry 19 (14), 1623-1631, 1998 | 162 | 1998 |
| DichroCalc—circular and linear dichroism online BM Bulheller, JD Hirst Bioinformatics 25 (4), 539-540, 2009 | 155 | 2009 |
| Do active site conformations of small ligands correspond to low free-energy solution structures? M Vieth, JD Hirst, CL Brooks III Journal of computer-aided molecular design 12 (6), 563-572, 1998 | 133 | 1998 |
| Supervised machine learning algorithms for protein structure classification P Jain, JM Garibaldi, JD Hirst Computational biology and chemistry 33 (3), 216-223, 2009 | 123 | 2009 |
| Helicity, circular dichroism and molecular dynamics of proteins JD Hirst, CL Brooks III Journal of molecular biology 243 (2), 173-178, 1994 | 121 | 1994 |
| Stabilizing interactions between aromatic and basic side chains in α-helical peptides and proteins. Tyrosine effects on helix circular dichroism CD Andrew, S Bhattacharjee, N Kokkoni, JD Hirst, GR Jones, AJ Doig Journal of the American Chemical Society 124 (43), 12706-12714, 2002 | 116 | 2002 |
| Protein secondary structure prediction with dihedral angles MJ Wood, JD Hirst PROTEINS: Structure, Function, and Bioinformatics 59 (3), 476-481, 2005 | 115 | 2005 |
| Ab initio study of the electronic spectrum of formamide with explicit solvent NA Besley, JD Hirst Journal of the American Chemical Society 121 (37), 8559-8566, 1999 | 113 | 1999 |
| A machine learning protocol for predicting protein infrared spectra S Ye, K Zhong, J Zhang, W Hu, JD Hirst, G Zhang, S Mukamel, J Jiang Journal of the American Chemical Society 142 (45), 19071-19077, 2020 | 109 | 2020 |
