Lars Olsen

18 papers A* 1Journal 17
YearRankTypeTitle / Venue / Authors
2025 J jnl
Zero-shot protein stability prediction by inverse folding models: a free energy interpretation.
CoRR
Jes Frellsen, Maher M. Kassem, Tone Bengtsen, Lars Olsen, Kresten Lindorff-Larsen, Jesper Ferkinghoff-Borg, Wouter Boomsma
2024 A* conf
Kermut: Composite kernel regression for protein variant effects.
NeurIPS
Peter Mørch Groth, Mads Herbert Kerrn, Lars Olsen, Jesper Salomon, Wouter Boomsma
2024 J jnl
Kermut: Composite kernel regression for protein variant effects.
CoRR
Peter Mørch Groth, Mads Herbert Kerrn, Lars Olsen, Jesper Salomon, Wouter Boomsma
2019 J jnl
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.
Rasmus Leth, Bogac Ercig, Lars Olsen, Flemming Steen Jørgensen
2019 J jnl
SMARTCyp 3.0: enhanced cytochrome P450 site-of-metabolism prediction server.
Bioinform.
Lars Olsen, Marco Montefiori, Khanhvi Phuc Tran, Flemming Steen Jørgensen
2017 J jnl
Mechanism of Cytochrome P450 17A1-Catalyzed Hydroxylase and Lyase Reactions.
J. Chem. Inf. Model.
Silvia Bonomo, Flemming Steen Jørgensen, Lars Olsen
2015 J jnl
Density Functional Theory Study on the Formation of Reactive Benzoquinone Imines by Hydrogen Abstraction.
J. Chem. Inf. Model.
Rasmus Leth, Patrik Rydberg, Flemming Steen Jørgensen, Lars Olsen
2014 J jnl
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.
Ann-Beth Nørholm, Pierre Francotte, Eric Goffin, Iuliana Botez, Laurence Danober, Pierre Lestage, Bernard Pirotte, Jette S. Kastrup, Lars Olsen, Chris Oostenbrink
2012 J jnl
A Robust Force Field Based Method for Calculating Conformational Energies of Charged Drug-Like Molecules.
J. Chem. Inf. Model.
Jacob Poehlsgaard, Kasper Harpsøe, Flemming Steen Jørgensen, Lars Olsen
2012 J jnl
Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods.
J. Comput. Aided Mol. Des.
Paulius Mikulskis, Samuel Genheden, Patrik Rydberg, Lars Sandberg, Lars Olsen, Ulf Ryde
2012 J jnl
RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes.
J. Chem. Inf. Model.
Jed Zaretzki, Patrik Rydberg, Charles Bergeron, Kristin P. Bennett, Lars Olsen, Curt M. Breneman
2010 J jnl
The SMARTCyp cytochrome P450 metabolism prediction server.
Bioinform.
Patrik Rydberg, David E. Gloriam, Lars Olsen
2009 J jnl
Virtual Screening and Prediction of Site of Metabolism for Cytochrome P450 1A2 Ligands.
J. Chem. Inf. Model.
Poongavanam Vasanthanathan, Jozef Hritz, Olivier Taboureau, Lars Olsen, Flemming Steen Jørgensen, Nico P. E. Vermeulen, Chris Oostenbrink
2008 J jnl
QSAR Models for the Human H
J. Chem. Inf. Model.
Simon Birksø Larsen, Flemming Steen Jørgensen, Lars Olsen
2004 J jnl
A New Proof of Darboux's Theorem.
Am. Math. Mon.
Lars Olsen
2004 J jnl
Docking and scoring of metallo-β-lactamases inhibitors.
J. Comput. Aided Mol. Des.
Lars Olsen, Ingrid Pettersson, Lars Hemmingsen, Hans-Werner Adolph, Flemming Steen Jørgensen
2002 J jnl
Binding of D- and L-captopril inhibitors to metallo--lactamase studied by polarizable molecular mechanics and quantum mechanics.
J. Comput. Chem.
Jens Antony, Nohad Gresh, Lars Olsen, Lars Hemmingsen, Christopher J. Schofield, Rogert Bauer
2002 J jnl
Quantum chemical geometry optimizations in proteins using crystallographic raw data.
J. Comput. Chem.
Ulf Ryde, Lars Olsen, Kristina Nilsson