Pär Söderhjelm

According to our database, Pär Söderhjelm authored at least 13 papers between 2007 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems.

Soumendranath Bhakat, Pär Söderhjelm

J. Chem. Inf. Model., 2022

2018

Can MM/GBSA calculations be sped up by system truncation?

Majda Misini Ignjatovic, Paulius Mikulskis, Pär Söderhjelm, Ulf Ryde

J. Comput. Chem., 2018

Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling.

Soumendranath Bhakat, Emil Åberg, Pär Söderhjelm

J. Comput. Aided Mol. Des., 2018

2017

Resolving the problem of trapped water in binding cavities: prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamics.

Soumendranath Bhakat, Pär Söderhjelm

J. Comput. Aided Mol. Des., 2017

2016

Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level.

Martin A. Olsson, Pär Söderhjelm, Ulf Ryde

J. Comput. Chem., 2016

2015

Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model.

Samuel Genheden, Ulf Ryde, Pär Söderhjelm

J. Comput. Chem., 2015

2014

Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energies.

Paulius Mikulskis, Daniela Cioloboc, Milica Andrejic, Sakshi Khare, Joakim Brorsson, Samuel Genheden, Ricardo A. Mata, Pär Söderhjelm, Ulf Ryde

J. Comput. Aided Mol. Des., 2014

Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field.

Francesco Manzoni, Pär Söderhjelm

J. Comput. Aided Mol. Des., 2014

Prediction of SAMPL4 host-guest binding affinities using funnel metadynamics.

Ya-Wen Hsiao, Pär Söderhjelm

J. Comput. Aided Mol. Des., 2014

Students' performance on programming-related tasks in an informatics contest in Finland, Sweden and Lithuania.

Valentina Dagiene, Linda Mannila, Timo Poranen, Lennart Rolandsson, Pär Söderhjelm

Proceedings of the Innovation and Technology in Computer Science Education Conference 2014, 2014

2009

Conformational dependence of charges in protein simulations.

Pär Söderhjelm, Ulf Ryde

J. Comput. Chem., 2009

How accurate are continuum solvation models for drug-like molecules?

Jacob Kongsted, Pär Söderhjelm, Ulf Ryde

J. Comput. Aided Mol. Des., 2009

2007

Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models.

Pär Söderhjelm, J. W. Krogh, Gunnar Karlström, Ulf Ryde, Roland Lindh

J. Comput. Chem., 2007