| Diastereomeric DNA-Binding Geometries of Intercalated Ruthenium(II) Trischelates Probed by Linear Dichroism: [Ru(phen)2DPPZ]2+ and [Ru(phen)2BDPPZ]2+ P Lincoln, A Broo, B Nordén Journal of the American Chemical Society 118 (11), 2644-2653, 1996 | 296 | 1996 |
| A theoretical investigation of the physical reason for the very different luminescence properties of the two isomers adenine and 2-aminopurine A Broo The Journal of Physical Chemistry A 102 (3), 526-531, 1998 | 254 | 1998 |
| Calculations and Characterization of the Electronic Spectra of DNA Bases Based on ab Initio MP2 Geometries of Different Tautomeric Forms A Broo, A Holmén The Journal of Physical Chemistry A 101 (19), 3589-3600, 1997 | 197 | 1997 |
| State-of-the-art tools for computational site of metabolism predictions: comparative analysis, mechanistical insights, and future applications L Afzelius, C Hasselgren Arnby, A Broo, L Carlsson, C Isaksson, U Jurva, ... Drug metabolism reviews 39 (1), 61-86, 2007 | 155 | 2007 |
| Prediction of drug candidates' sensitivity toward autoxidation: computational estimation of CH dissociation energies of carbon-centered radicals T Andersson, A Broo, E Evertsson Journal of pharmaceutical sciences 103 (7), 1949-1955, 2014 | 124 | 2014 |
| Electron transfer due to through-bond interactions. Study of aliphatic chains A Broo, S Larsson Chemical physics 148 (1), 103-115, 1990 | 124 | 1990 |
| Ab initio MP2 and DFT calculations of geometry and solution tautomerism of purine and some purine derivatives A Broo, A Holmén Chemical physics 211 (1-3), 147-161, 1996 | 110 | 1996 |
| Connection between structure, electronic spectrum, and electron-transfer properties of blue copper proteins S Larsson, A Broo, L Sjoelin The Journal of Physical Chemistry 99 (13), 4860-4865, 1995 | 100 | 1995 |
| Assignment of electronic transition moment directions of adenine from linear dichroism measurements A Holmén, A Broo, B Albinsson, B Nordén Journal of the American Chemical Society 119 (50), 12240-12250, 1997 | 95 | 1997 |
| Ab initio and semiempirical calculations of geometry and electronic spectra of ruthenium organic complexes and modeling of spectroscopic changes upon DNA binding A Broo, P Lincoln Inorganic chemistry 36 (12), 2544-2553, 1997 | 83 | 1997 |
| Use of small-molecule crystal structures to address solubility in a novel series of G protein coupled receptor 119 agonists: optimization of a lead and in vivo evaluation JS Scott, AM Birch, KJ Brocklehurst, A Broo, HS Brown, RJ Butlin, ... Journal of Medicinal Chemistry 55 (11), 5361-5379, 2012 | 80 | 2012 |
| Development of a hybrid quantum chemical and molecular mechanics method with application to solvent effects on the electronic spectra of uracil and uracil derivatives A Broo, G Pearl, MC Zerner The Journal of Physical Chemistry A 101 (13), 2478-2488, 1997 | 74 | 1997 |
| Electron transfer in azurin and the role of aromatic side groups of the protein A Broo, S Larsson The Journal of Physical Chemistry 95 (13), 4925-4928, 1991 | 72 | 1991 |
| Why do some molecules form hydrates or solvates? S Boothroyd, A Kerridge, A Broo, D Buttar, J Anwar Crystal Growth & Design 18 (3), 1903-1908, 2018 | 67 | 2018 |
| Ab initio and semi-empirical studies of electron transfer and spectra of binuclear complexes with organic bridges A Broo, S Larsson Chemical physics 161 (3), 363-378, 1992 | 67 | 1992 |
| Localization and correlation corrections in electronic interactions through single bonded hydrocarbon spacers M Braga, A Broo, S Larsson Chemical physics 156 (1), 1-9, 1991 | 54 | 1991 |
| Electronic structure of donor-spacer-acceptor molecules of potential interest for molecular electronics. IV. Geometry and device properties of P3CNQ and Q3CNQ A Broo, MC Zerner Chemical physics 196 (3), 423-436, 1995 | 53 | 1995 |
| Predicting crystal form stability under real-world conditions D Firaha, YM Liu, J van de Streek, K Sasikumar, H Dietrich, J Helfferich, ... Nature 623 (7986), 324-328, 2023 | 47 | 2023 |
| A General Semi-Empirical Program Package MC Zerner ZINDO 32611, 1998 | 47 | 1998 |
| A theoretical investigation of the solution N (7) H⟷ N (9) H tautomerism of adenine A Holmén, A Broo International Journal of Quantum Chemistry 56 (S22), 113-122, 1995 | 47 | 1995 |
