Pär Söderhjelm

13 papers B 1Journal 12

Year	Rank	Type	Title / Venue / Authors
2022	J	`jnl`	Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems. J. Chem. Inf. Model. Soumendranath Bhakat, Pär Söderhjelm
2018	J	`jnl`	Can MM/GBSA calculations be sped up by system truncation? J. Comput. Chem. Majda Misini Ignjatovic, Paulius Mikulskis, Pär Söderhjelm, Ulf Ryde
2018	J	`jnl`	Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling. J. Comput. Aided Mol. Des. Soumendranath Bhakat, Emil Åberg, Pär Söderhjelm
2017	J	`jnl`	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. Soumendranath Bhakat, Pär Söderhjelm
2016	J	`jnl`	Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level. J. Comput. Chem. Martin A. Olsson, Pär Söderhjelm, Ulf Ryde
2015	J	`jnl`	Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model. J. Comput. Chem. Samuel Genheden, Ulf Ryde, Pär Söderhjelm
2014	J	`jnl`	Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energies. J. Comput. Aided Mol. Des. Paulius Mikulskis, Daniela Cioloboc, Milica Andrejic, Sakshi Khare, Joakim Brorsson, Samuel Genheden, Ricardo A. Mata, Pär Söderhjelm, Ulf Ryde
2014	J	`jnl`	Prediction of SAMPL4 host-guest binding affinities using funnel metadynamics. J. Comput. Aided Mol. Des. Ya-Wen Hsiao, Pär Söderhjelm
2014	J	`jnl`	Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field. J. Comput. Aided Mol. Des. Francesco Manzoni, Pär Söderhjelm
2014	B	`conf`	Students' performance on programming-related tasks in an informatics contest in Finland, Sweden and Lithuania. ITiCSE Valentina Dagiene, Linda Mannila, Timo Poranen, Lennart Rolandsson, Pär Söderhjelm
2009	J	`jnl`	Conformational dependence of charges in protein simulations. J. Comput. Chem. Pär Söderhjelm, Ulf Ryde
2009	J	`jnl`	How accurate are continuum solvation models for drug-like molecules? J. Comput. Aided Mol. Des. Jacob Kongsted, Pär Söderhjelm, Ulf Ryde
2007	J	`jnl`	Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models. J. Comput. Chem. Pär Söderhjelm, J. W. Krogh, Gunnar Karlström, Ulf Ryde, Roland Lindh