Pär Söderhjelm

Affiliations: 
Department of Biophysics Lund University, Lund, Skåne län, Sweden 
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"Pär Söderhjelm"
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Vats S, Bobrovs R, Söderhjelm P, et al. (2024) AlphaFold-SFA: Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics. Plos One. 19: e0307226
Kulkarni M, Söderhjelm P. (2023) Free-Energy Landscape and Rate Estimation of the Aromatic Ring Flips in Basic Pancreatic Trypsin Inhibitors Using Metadynamics. Journal of Chemical Theory and Computation. 19: 6605-6618
Bhakat S, Söderhjelm P. (2022) Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems. Journal of Chemical Information and Modeling. 62: 914-926
Persson F, Söderhjelm P, Halle B. (2018) The geometry of protein hydration. The Journal of Chemical Physics. 148: 215101
Persson F, Söderhjelm P, Halle B. (2018) The spatial range of protein hydration. The Journal of Chemical Physics. 148: 215104
Persson F, Söderhjelm P, Halle B. (2018) How proteins modify water dynamics. The Journal of Chemical Physics. 148: 215103
Misini Ignjatović M, Mikulskis P, Söderhjelm P, et al. (2017) Can MM/GBSA calculations be sped up by system truncation? Journal of Computational Chemistry
Bhakat S, Åberg E, Söderhjelm P. (2017) Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling. Journal of Computer-Aided Molecular Design
Bhakat S, Söderhjelm P. (2017) Resolving the problem of trapped water in binding cavities: prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamics. Journal of Computer-Aided Molecular Design. 31: 119-132
Olsson MA, Söderhjelm P, Ryde U. (2016) Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level. Journal of Computational Chemistry
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