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2020 – today
- 2024
[i1]Peter Mørch Groth, Mads Herbert Kerrn, Lars Olsen, Jesper Salomon, Wouter Boomsma:
Kermut: Composite kernel regression for protein variant effects. CoRR abs/2407.00002 (2024)
2010 – 2019
- 2019
- [j15]Lars Olsen, Marco Montefiori
, Khanhvi Phuc Tran, Flemming Steen Jørgensen:
SMARTCyp 3.0: enhanced cytochrome P450 site-of-metabolism prediction server. Bioinform. 35(17): 3174-3175 (2019) - [j14]Rasmus Leth, Bogac Ercig, Lars Olsen, Flemming Steen Jørgensen:
Both Reactivity and Accessibility Are Important in Cytochrome P450 Metabolism: A Combined DFT and MD Study of Fenamic Acids in BM3 Mutants. J. Chem. Inf. Model. 59(2): 743-753 (2019) - 2017
- [j13]Silvia Bonomo, Flemming Steen Jørgensen, Lars Olsen:
Mechanism of Cytochrome P450 17A1-Catalyzed Hydroxylase and Lyase Reactions. J. Chem. Inf. Model. 57(5): 1123-1133 (2017) - 2015
- [j12]Rasmus Leth, Patrik Rydberg, Flemming Steen Jørgensen, Lars Olsen:
Density Functional Theory Study on the Formation of Reactive Benzoquinone Imines by Hydrogen Abstraction. J. Chem. Inf. Model. 55(3): 660-666 (2015) - 2014
- [j11]Ann-Beth Nørholm, Pierre Francotte, Eric Goffin, Iuliana Botez, Laurence Danober, Pierre Lestage, Bernard Pirotte, Jette S. Kastrup, Lars Olsen, Chris Oostenbrink:
Thermodynamic Characterization of New Positive Allosteric Modulators Binding to the Glutamate Receptor A2 Ligand-Binding Domain: Combining Experimental and Computational Methods Unravels Differences in Driving Forces. J. Chem. Inf. Model. 54(12): 3404-3416 (2014) - 2012
- [j10]Paulius Mikulskis, Samuel Genheden, Patrik Rydberg, Lars Sandberg, Lars Olsen, Ulf Ryde:
Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods. J. Comput. Aided Mol. Des. 26(5): 527-541 (2012) - [j9]Jacob Poehlsgaard, Kasper Harpsøe, Flemming Steen Jørgensen, Lars Olsen:
A Robust Force Field Based Method for Calculating Conformational Energies of Charged Drug-Like Molecules. J. Chem. Inf. Model. 52(2): 409-419 (2012) - [j8]Jed Zaretzki, Patrik Rydberg, Charles Bergeron, Kristin P. Bennett, Lars Olsen, Curt M. Breneman:
RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes. J. Chem. Inf. Model. 52(6): 1637-1659 (2012) - 2010
- [j7]Patrik Rydberg, David E. Gloriam, Lars Olsen:
The SMARTCyp cytochrome P450 metabolism prediction server. Bioinform. 26(23): 2988-2989 (2010)
2000 – 2009
- 2009
- [j6]Poongavanam Vasanthanathan, Jozef Hritz, Olivier Taboureau, Lars Olsen, Flemming Steen Jørgensen, Nico P. E. Vermeulen, Chris Oostenbrink:
Virtual Screening and Prediction of Site of Metabolism for Cytochrome P450 1A2 Ligands. J. Chem. Inf. Model. 49(1): 43-52 (2009) - 2008
- [j5]Simon Birksø Larsen, Flemming Steen Jørgensen, Lars Olsen:
QSAR Models for the Human H+/Peptide Symporter, hPEPT1: Affinity Prediction Using Alignment-Independent Descriptors. J. Chem. Inf. Model. 48(1): 233-241 (2008) - 2004
- [j4]Lars Olsen, Ingrid Pettersson, Lars Hemmingsen, Hans-Werner Adolph, Flemming Steen Jørgensen:
Docking and scoring of metallo-β-lactamases inhibitors. J. Comput. Aided Mol. Des. 18(4): 287-302 (2004) - [j3]Lars Olsen:
A New Proof of Darboux's Theorem. Am. Math. Mon. 111(8): 713-715 (2004) - 2002
- [j2]Ulf Ryde, Lars Olsen, Kristina Nilsson:
Quantum chemical geometry optimizations in proteins using crystallographic raw data. J. Comput. Chem. 23(11): 1058-1070 (2002) - [j1]Jens Antony, Nohad Gresh, Lars Olsen, Lars Hemmingsen, Christopher J. Schofield, Rogert Bauer:
Binding of D- and L-captopril inhibitors to metallo--lactamase studied by polarizable molecular mechanics and quantum mechanics. J. Comput. Chem. 23(13): 1281-1296 (2002)
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