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Martin A. Olsson
Martin A. Olsson
Forcelab AB
Bestätigte E-Mail-Adresse bei force-lab.eu - Startseite
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Zitiert von
Zitiert von
Jahr
Interplay between conformational entropy and solvation entropy in protein–ligand binding
ML Verteramo, O Stenström, MM Ignjatovic, O Caldararu, MA Olsson, ...
Journal of the American Chemical Society 141 (5), 2012-2026, 2019
1122019
Comparison of QM/MM methods to obtain ligand-binding free energies
MA Olsson, U Ryde
Journal of chemical theory and computation 13 (5), 2245-2253, 2017
612017
Converging ligand‐binding free energies obtained with free‐energy perturbations at the quantum mechanical level
MA Olsson, P Söderhjelm, U Ryde
Journal of Computational Chemistry 37 (17), 1589-1600, 2016
522016
Binding free energies in the SAMPL5 octa-acid host–guest challenge calculated with DFT-D3 and CCSD (T)
O Caldararu, MA Olsson, C Riplinger, F Neese, U Ryde
Journal of computer-aided molecular design 31, 87-106, 2017
302017
Structure and Energetics of Ligand–Fluorine Interactions with Galectin‐3 Backbone and Side‐Chain Amides: Insight into Solvation Effects and Multipolar Interactions
R Kumar, MM Ignjatović, K Peterson, M Olsson, H Leffler, U Ryde, ...
ChemMedChem 14 (16), 1528-1536, 2019
292019
Relative ligand-binding free energies calculated from multiple short QM/MM MD simulations
C Steinmann, MA Olsson, U Ryde
Journal of chemical theory and computation 14 (6), 3228-3237, 2018
272018
Binding free energies in the SAMPL6 octa-acid host–guest challenge calculated with MM and QM methods
O Caldararu, MA Olsson, M Misini Ignjatović, M Wang, U Ryde
Journal of computer-aided molecular design 32, 1027-1046, 2018
212018
Binding affinities of the farnesoid X receptor in the D3R Grand Challenge 2 estimated by free-energy perturbation and docking
MA Olsson, AT García-Sosa, U Ryde
Journal of Computer-Aided Molecular Design 32, 211-224, 2018
132018
QM/MM free-energy perturbation and other methods to estimate ligand-binding affinities
M Olsson
2018
Relative binding affinities of the farnesoid X receptor in the D3R Grand Challenge 2 estimated by free-energy perturbation
MA Olsson, AT García-Sosa, U Ryde
2017
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