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ORCIDPär Söderhjelm
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2020 – today
- 2022
[j12]Soumendranath Bhakat
, Pär Söderhjelm:
Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems. J. Chem. Inf. Model. 62(4): 914-926 (2022)
2010 – 2019
- 2018
- [j11]Soumendranath Bhakat, Emil Åberg, Pär Söderhjelm:
Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling. J. Comput. Aided Mol. Des. 32(1): 59-73 (2018) - [j10]Majda Misini Ignjatovic, Paulius Mikulskis, Pär Söderhjelm, Ulf Ryde:
Can MM/GBSA calculations be sped up by system truncation? J. Comput. Chem. 39(7): 361-372 (2018) - 2017
- [j9]Soumendranath Bhakat, Pär Söderhjelm:
Resolving the problem of trapped water in binding cavities: prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamics. J. Comput. Aided Mol. Des. 31(1): 119-132 (2017) - 2016
- [j8]Martin A. Olsson, Pär Söderhjelm, Ulf Ryde:
Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level. J. Comput. Chem. 37(17): 1589-1600 (2016) - 2015
- [j7]Samuel Genheden, Ulf Ryde, Pär Söderhjelm:
Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model. J. Comput. Chem. 36(28): 2114-2124 (2015) - 2014
- [j6]Francesco Manzoni, Pär Söderhjelm:
Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field. J. Comput. Aided Mol. Des. 28(3): 235-244 (2014) - [j5]Paulius Mikulskis, Daniela Cioloboc, Milica Andrejic, Sakshi Khare, Joakim Brorsson, Samuel Genheden, Ricardo A. Mata, Pär Söderhjelm, Ulf Ryde:
Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energies. J. Comput. Aided Mol. Des. 28(4): 375-400 (2014) - [j4]Ya-Wen Hsiao, Pär Söderhjelm:
Prediction of SAMPL4 host-guest binding affinities using funnel metadynamics. J. Comput. Aided Mol. Des. 28(4): 443-454 (2014) - [c1]Valentina Dagiene, Linda Mannila, Timo Poranen, Lennart Rolandsson, Pär Söderhjelm:
Students' performance on programming-related tasks in an informatics contest in Finland, Sweden and Lithuania. ITiCSE 2014: 153-158
2000 – 2009
- 2009
- [j3]Jacob Kongsted, Pär Söderhjelm, Ulf Ryde:
How accurate are continuum solvation models for drug-like molecules? J. Comput. Aided Mol. Des. 23(7): 395-409 (2009) - [j2]Pär Söderhjelm, Ulf Ryde:
Conformational dependence of charges in protein simulations. J. Comput. Chem. 30(5): 750-760 (2009) - 2007
- [j1]Pär Söderhjelm, J. W. Krogh, Gunnar Karlström, Ulf Ryde, Roland Lindh:
Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models. J. Comput. Chem. 28(6): 1083-1090 (2007)
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