Pär Söderhjelm

Publication Activity (10 Years)

Years Active: 2007-2022
Publications (10 Years): 5

Top Topics

Molecular Dynamics

Secondary Education

Top Venues

J. Comput. Aided Mol. Des.

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

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) (2022)
Majda Misini Ignjatovic, Paulius Mikulskis, Pär Söderhjelm, Ulf Ryde
Can MM/GBSA calculations be sped up by system truncation? J. Comput. Chem. 39 (7) (2018)
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) (2018)
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) (2017)
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) (2016)
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) (2015)
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)
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) (2014)
Ya-Wen Hsiao, Pär Söderhjelm
Prediction of SAMPL4 host-guest binding affinities using funnel metadynamics. J. Comput. Aided Mol. Des. 28 (4) (2014)
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) (2014)
Jacob Kongsted, Pär Söderhjelm, Ulf Ryde
How accurate are continuum solvation models for drug-like molecules? J. Comput. Aided Mol. Des. 23 (7) (2009)
Pär Söderhjelm, Ulf Ryde
Conformational dependence of charges in protein simulations. J. Comput. Chem. 30 (5) (2009)
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) (2007)