Jonathan Hirst
Jonathan Hirst
Professor of Computational Chemistry, University of Nottingham
E-mail megerősítve itt: nottingham.ac.uk - Kezdőlap
Hivatkozott rá
Hivatkozott rá
Prediction of glycosylation sites using random forests
SE Hamby, JD Hirst
BMC bioinformatics 9, 1-13, 2008
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
Circular and linear dichroism of proteins
BM Bulheller, A Rodger, JD Hirst
Physical Chemistry Chemical Physics 9 (17), 2020-2035, 2007
Multimeme algorithms for protein structure prediction
N Krasnogor, BP Blackburne, EK Burke, JD Hirst
Parallel Problem Solving from Nature—PPSN VII: 7th International Conference …, 2002
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
Machine learning in virtual screening
JL Melville, EK Burke, JD Hirst
Combinatorial chemistry & high throughput screening 12 (4), 332-343, 2009
Assessing energy functions for flexible docking
M Vieth, JD Hirst, A Kolinski, CL Brooks III
Journal of Computational Chemistry 19 (14), 1612-1622, 1998
Theoretical studies toward quantitative protein circular dichroism calculations
NA Besley, JD Hirst
Journal of the American Chemical Society 121 (41), 9636-9644, 1999
Contemporary QSAR classifiers compared
CL Bruce, JL Melville, SD Pickett, JD Hirst
Journal of chemical information and modeling 47 (1), 219-227, 2007
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
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
Electronic circular dichroism spectroscopy of proteins
DM Rogers, SB Jasim, NT Dyer, F Auvray, M Réfrégiers, JD Hirst
Chem 5 (11), 2751-2774, 2019
DichroCalc—circular and linear dichroism online
BM Bulheller, JD Hirst
Bioinformatics 25 (4), 539-540, 2009
Do active site conformations of small ligands correspond to low free-energy solution structures?
M Vieth, JD Hirst, CL Brooks
Journal of computer-aided molecular design 12, 563-572, 1998
Supervised machine learning algorithms for protein structure classification
P Jain, JM Garibaldi, JD Hirst
Computational biology and chemistry 33 (3), 216-223, 2009
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
Helicity, circular dichroism and molecular dynamics of proteins
JD Hirst, CL Brooks III
Journal of molecular biology 243 (2), 173-178, 1994
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
Protein secondary structure prediction with dihedral angles
MJ Wood, JD Hirst
PROTEINS: Structure, Function, and Bioinformatics 59 (3), 476-481, 2005
Quantitative structure-activity relationships by neural networks and inductive logic programming. I. The inhibition of dihydrofolate reductase by pyrimidines
JD Hirst, RD King, MJE Sternberg
Journal of Computer-Aided Molecular Design 8, 405-420, 1994
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