Lars Olsen

Publication Activity (10 Years)

Years Active: 2002-2024
Publications (10 Years): 4

Top Topics

Kernel Regression

Computational Methods

Top Venues

J. Chem. Inf. Model.

Publications

Peter Mørch Groth, Mads Herbert Kerrn, Lars Olsen, Jesper Salomon, Wouter Boomsma
Kermut: Composite kernel regression for protein variant effects. CoRR (2024)
Lars Olsen, Marco Montefiori, Khanhvi Phuc Tran, Flemming Steen Jørgensen
SMARTCyp 3.0: enhanced cytochrome P450 site-of-metabolism prediction server. Bioinform. 35 (17) (2019)
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) (2019)
Silvia Bonomo, Flemming Steen Jørgensen, Lars Olsen
Mechanism of Cytochrome P450 17A1-Catalyzed Hydroxylase and Lyase Reactions. J. Chem. Inf. Model. 57 (5) (2017)
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) (2015)
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) (2014)
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) (2012)
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) (2012)
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) (2012)
Patrik Rydberg, David E. Gloriam, Lars Olsen
The SMARTCyp cytochrome P450 metabolism prediction server. Bioinform. 26 (23) (2010)
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) (2009)
Simon Birksø Larsen, Flemming Steen Jørgensen, Lars Olsen
/Peptide Symporter, hPEPT1: Affinity Prediction Using Alignment-Independent Descriptors. J. Chem. Inf. Model. 48 (1) (2008)
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) (2004)
Lars Olsen
A New Proof of Darboux's Theorem. Am. Math. Mon. 111 (8) (2004)
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) (2002)
Ulf Ryde, Lars Olsen, Kristina Nilsson
Quantum chemical geometry optimizations in proteins using crystallographic raw data. J. Comput. Chem. 23 (11) (2002)