| A comparison of conformational energies calculated by several molecular mechanics methods K Gundertofte, T Liljefors, P Norrby, I Pettersson Journal of Computational Chemistry 17 (4), 429-449, 1996 | 201 | 1996 |
| A comparison of conformational energies calculated by molecular mechanics (MM2 (85), Sybyl 5.1, Sybyl 5.21, and ChemX) and semiempirical (AM1 and PM3) methods K Gundertofte, J Palm, I Pettersson, A Stamvik Journal of computational chemistry 12 (2), 200-208, 1991 | 81 | 1991 |
| Development of a receptor-interaction model for serotonin 5-HT2 receptor antagonists. Predicting selectivity with respect to dopamine D2 receptors K Andersen, T Liljefors, K Gundertofte, J Perregaard, KP Bogeso Journal of medicinal chemistry 37 (7), 950-962, 1994 | 63 | 1994 |
| A 3D QSAR Study on a Set of Dopamine D4 Receptor Antagonists J Boström, M Böhm, K Gundertofte, G Klebe Journal of chemical information and computer sciences 43 (3), 1020-1027, 2003 | 55 | 2003 |
| Antihypertensive activity in a series of 1-piperazino-3-phenylindans with potent 5-HT2-antagonistic activity KP Boegesoe, J Arnt, V Boeck, AV Christensen, J Hyttel, KG Jensen Journal of medicinal chemistry 31 (12), 2247-2256, 1988 | 54 | 1988 |
| Homology modeling of the serotonin transporter: insights into the primary escitalopram‐binding site AM Jørgensen, L Tagmose, AMM Jørgensen, S Topiol, M Sabio, ... ChemMedChem: Chemistry Enabling Drug Discovery 2 (6), 815-826, 2007 | 53 | 2007 |
| A pharmacophore model for dopamine D4 receptor antagonists J Boström, K Gundertofte, T Liljefors Journal of Computer-Aided Molecular Design 14, 769-786, 2000 | 28 | 2000 |
| Molecular modeling and prediction of bioactivity K Gundertofte, FS Jørgensen Springer Science & Business Media, 2012 | 27 | 2012 |
| Probing the pharmacophore of ginkgolides as glycine receptor antagonists AA Jensen, N Begum, SB Vogensen, KM Knapp, K Gundertofte, ... Journal of medicinal chemistry 50 (7), 1610-1617, 2007 | 27 | 2007 |
| A study on the contribution of the 1-phenyl substituent to the molecular electrostatic potentials of some benzazepines in relation to selective dopamine D-1 receptor activity I Pettersson, K Gundertofte, J Palm, T Liljefors Journal of medicinal chemistry 35 (3), 502-507, 1992 | 21 | 1992 |
| A pharmacophore model for NK2 antagonist comprising compounds from several structurally diverse classes A Poulsen, T Liljefors, K Gundertofte, B Bjørnholm Journal of computer-aided molecular design 16, 273-286, 2002 | 19 | 2002 |
| Pharmacophore and receptor models for neurokinin receptors A Poulsen, B Bjørnholm, K Gundertofte, ID Pogozheva, T Liljefors Journal of computer-aided molecular design 17, 765-783, 2003 | 18 | 2003 |
| A fragment‐weighted key‐based similarity measure for use in structural clustering and virtual screening AM Munk Jørgensen, M Langgård, K Gundertofte, JT Pedersen QSAR & Combinatorial Science 25 (3), 221-234, 2006 | 13 | 2006 |
| A Stereoselective Pharmacophoric Model of the Serotonin Re‐uptake Site K Gundertofte, KP Bøgesø, T Liljefors Computer‐Assisted Lead Finding and Optimization: Current Tools for Medicinal …, 1997 | 13 | 1997 |
| Molecular mechanics and comparison of force fields T Liljefors, K Gundertofte, PO Norrby, I Pettersson Computational medicinal chemistry for drug discovery 1, 1-28, 2004 | 10 | 2004 |
| Conformational energies and rotational barriers in 3‐methyl‐1‐butene and 1‐butene: An ab initio and molecular mechanics study I Pettersson, K Gundertofte Journal of computational chemistry 12 (7), 839-843, 1991 | 10 | 1991 |
| Computational Medicinal Chemistry for Drug Discovery T Liljefors, K Gundertofte, PO Norrby, I Pettersson, P Bultinck, ... Marcel Dekker, 2004 | 7 | 2004 |
| I. Pettersson in Computational Medicinal Chemistry for Drug Discovery T Liljefors, K Gundertofte, PO Norrby Dekker, New York, 2004 | 6 | 2004 |
| Computer-assisted lead finding and optimization K Gundertofte, KP Bogeso, T Liljefors Current Tools for Medicinal Chemistry. Weinheim: Wiley-VCH, 443-459, 1997 | 6 | 1997 |
| 1, 2, 3-triazole and tetrazole substituted piperidine or tetrahydropyridine compounds useful as acetylcholine agonists KP Bogeso, K Gundertofte, EK Moltzen, H Pedersen US Patent App. 08/648,240, 1999 | 4 | 1999 |
