Pär Söderhjelm - Search Results

Year	Number of Results
2006	2
2008	4
2009	5
2010	3
2011	3
2012	2
2013	3
2014	4
2015	1
2016	4
2017	3
2018	5
2022	1
2023	1
2024	0

1

Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods.

Ryde U, Söderhjelm P. Ryde U, et al. Among authors: soderhjelm p. Chem Rev. 2016 May 11;116(9):5520-66. doi: 10.1021/acs.chemrev.5b00630. Epub 2016 Apr 14. Chem Rev. 2016. PMID: 27077817 Free article. Review.

2

Flap Dynamics in Aspartic Proteases: A Computational Perspective.

Mahanti M, Bhakat S, Nilsson UJ, Söderhjelm P. Mahanti M, et al. Among authors: soderhjelm p. Chem Biol Drug Des. 2016 Aug;88(2):159-77. doi: 10.1111/cbdd.12745. Epub 2016 Mar 15. Chem Biol Drug Des. 2016. PMID: 26872937

3

The geometry of protein hydration.

Persson F, Söderhjelm P, Halle B. Persson F, et al. Among authors: soderhjelm p. J Chem Phys. 2018 Jun 7;148(21):215101. doi: 10.1063/1.5026744. J Chem Phys. 2018. PMID: 29884063

4

How proteins modify water dynamics.

Persson F, Söderhjelm P, Halle B. Persson F, et al. Among authors: soderhjelm p. J Chem Phys. 2018 Jun 7;148(21):215103. doi: 10.1063/1.5026861. J Chem Phys. 2018. PMID: 29884055

5

The spatial range of protein hydration.

Persson F, Söderhjelm P, Halle B. Persson F, et al. Among authors: soderhjelm p. J Chem Phys. 2018 Jun 7;148(21):215104. doi: 10.1063/1.5031005. J Chem Phys. 2018. PMID: 29884061

6

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

Bhakat S, Söderhjelm P. Bhakat S, et al. Among authors: soderhjelm p. J Chem Inf Model. 2022 Feb 28;62(4):914-926. doi: 10.1021/acs.jcim.1c00840. Epub 2022 Feb 9. J Chem Inf Model. 2022. PMID: 35138093 Free PMC article.

7

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

Misini Ignjatović M, Mikulskis P, Söderhjelm P, Ryde U. Misini Ignjatović M, et al. Among authors: soderhjelm p. J Comput Chem. 2018 Mar 15;39(7):361-372. doi: 10.1002/jcc.25120. Epub 2017 Nov 26. J Comput Chem. 2018. PMID: 29178493

8

On the Convergence of QM/MM Energies.

Hu L, Söderhjelm P, Ryde U. Hu L, et al. Among authors: soderhjelm p. J Chem Theory Comput. 2011 Mar 8;7(3):761-77. doi: 10.1021/ct100530r. Epub 2011 Feb 7. J Chem Theory Comput. 2011. PMID: 26596307

9

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

Bhakat S, Åberg E, Söderhjelm P. Bhakat S, et al. Among authors: soderhjelm p. J Comput Aided Mol Des. 2018 Jan;32(1):59-73. doi: 10.1007/s10822-017-0074-x. Epub 2017 Oct 20. J Comput Aided Mol Des. 2018. PMID: 29052792 Free PMC article.

10

Free-Energy Landscape and Rate Estimation of the Aromatic Ring Flips in Basic Pancreatic Trypsin Inhibitors Using Metadynamics.

Kulkarni M, Söderhjelm P. Kulkarni M, et al. Among authors: soderhjelm p. J Chem Theory Comput. 2023 Oct 10;19(19):6605-6618. doi: 10.1021/acs.jctc.3c00460. Epub 2023 Sep 12. J Chem Theory Comput. 2023. PMID: 37698852 Free PMC article.

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