Search Page
Save citations to file
Email citations
Send citations to clipboard
Add to Collections
Add to My Bibliography
Create a file for external citation management software
Your saved search
Your RSS Feed
Search Results
5 results
Filters applied: . Clear all
Results are displayed in a computed author sort order.
The Results By Year timeline is not available.
Page 1
Interplay of halogen bonding and solvation in protein-ligand binding.
iScience. 2024 Mar 29;27(4):109636. doi: 10.1016/j.isci.2024.109636. eCollection 2024 Apr 19.
iScience. 2024.
PMID: 38633000
Free PMC article.
Comparison of Grand Canonical and Conventional Molecular Dynamics Simulation Methods for Protein-Bound Water Networks.
Ekberg V, Samways ML, Misini Ignjatović M, Essex JW, Ryde U.
Ekberg V, et al.
ACS Phys Chem Au. 2022 May 25;2(3):247-259. doi: 10.1021/acsphyschemau.1c00052. Epub 2022 Feb 11.
ACS Phys Chem Au. 2022.
PMID: 35637786
Free PMC article.
Item in Clipboard
Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Wallerstein J, Ekberg V, Ignjatović MM, Kumar R, Caldararu O, Peterson K, Wernersson S, Brath U, Leffler H, Oksanen E, Logan DT, Nilsson UJ, Ryde U, Akke M.
Wallerstein J, et al. Among authors: ekberg v.
JACS Au. 2021 Apr 1;1(4):484-500. doi: 10.1021/jacsau.0c00094. eCollection 2021 Apr 26.
JACS Au. 2021.
PMID: 34467311
Free PMC article.
Item in Clipboard
Exploring ligand dynamics in protein crystal structures with ensemble refinement.
Caldararu O, Ekberg V, Logan DT, Oksanen E, Ryde U.
Caldararu O, et al. Among authors: ekberg v.
Acta Crystallogr D Struct Biol. 2021 Aug 1;77(Pt 8):1099-1115. doi: 10.1107/S2059798321006513. Epub 2021 Jul 29.
Acta Crystallogr D Struct Biol. 2021.
PMID: 34342282
Free PMC article.
Item in Clipboard
On the Use of Interaction Entropy and Related Methods to Estimate Binding Entropies.
Ekberg V, Ryde U.
Ekberg V, et al.
J Chem Theory Comput. 2021 Aug 10;17(8):5379-5391. doi: 10.1021/acs.jctc.1c00374. Epub 2021 Jul 13.
J Chem Theory Comput. 2021.
PMID: 34254810
Free PMC article.
Item in Clipboard
Cite
Cite