Pär Söderhjelm
Affiliations: | Department of Biophysics | Lund University, Lund, Skåne län, Sweden |
Google:
"Pär Söderhjelm"Mean distance: (not calculated yet)
Parents
Sign in to add mentorUlf Ryde | grad student | Lund University | |
Michele Parrinello | post-doc | 2009-2012 | University of Lund |
Children
Sign in to add traineeSoumendranath Bhakat | grad student | 2015-2020 | Lund University |
Mandar Kulkarni | post-doc | 2018-2020 | Lund University |
BETA: Related publications
See more...
Publications
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
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 |