Oostenbrink C - Search Results

1

Stability Assessment in Aqueous and Organic Solvents of Metal-Organic Framework PCN 333 Nanoparticles through a Combination of Physicochemical Characterization and Computational Simulations.

Liu X, Ortega-Guerrero A, P Domingues N, Pougin MJ, Smit B, Hosta-Rigau L, Oostenbrink C. Liu X, et al. Among authors: oostenbrink c. Langmuir. 2024 Oct 22;40(42):21976-21984. doi: 10.1021/acs.langmuir.4c01684. Epub 2024 Oct 12. Langmuir. 2024. PMID: 39395057 Free PMC article.

2

Polarization Effects in Simulations of Kaolinite-Water Interfaces.

Galicia-Andrés E, Petrov D, Gerzabek MH, Oostenbrink C, Tunega D. Galicia-Andrés E, et al. Among authors: oostenbrink c. Langmuir. 2019 Nov 26;35(47):15086-15099. doi: 10.1021/acs.langmuir.9b02945. Epub 2019 Nov 12. Langmuir. 2019. PMID: 31663747 Free PMC article.

3

Exploring the structure and dynamics of proteins in soil organic matter.

Gotsmy M, Escalona Y, Oostenbrink C, Petrov D. Gotsmy M, et al. Among authors: oostenbrink c. Proteins. 2021 Mar 5;89(8):925-36. doi: 10.1002/prot.26070. Online ahead of print. Proteins. 2021. PMID: 33675059 Free PMC article.

4

Molecular Dynamics Simulations of the Standard Leonardite Humic Acid: Microscopic Analysis of the Structure and Dynamics.

Petrov D, Tunega D, Gerzabek MH, Oostenbrink C. Petrov D, et al. Among authors: oostenbrink c. Environ Sci Technol. 2017 May 16;51(10):5414-5424. doi: 10.1021/acs.est.7b00266. Epub 2017 May 3. Environ Sci Technol. 2017. PMID: 28440077 Free article.

5

Structural Aspects of the O-glycosylation Linkage in Glycopeptides via MD Simulations and Comparison with NMR Experiments.

Turupcu A, Diem M, Smith LJ, Oostenbrink C. Turupcu A, et al. Among authors: oostenbrink c. Chemphyschem. 2019 Jun 4;20(11):1527-1537. doi: 10.1002/cphc.201900079. Epub 2019 May 6. Chemphyschem. 2019. PMID: 30920077 Free PMC article.

6

On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteins.

Pechlaner M, Oostenbrink C, van Gunsteren WF. Pechlaner M, et al. Among authors: oostenbrink c. J Comput Chem. 2021 Jul 5;42(18):1263-1282. doi: 10.1002/jcc.26541. Epub 2021 May 5. J Comput Chem. 2021. PMID: 33951201 Free PMC article.

7

Molecular dynamics simulations.

Hansson T, Oostenbrink C, van Gunsteren W. Hansson T, et al. Among authors: oostenbrink c. Curr Opin Struct Biol. 2002 Apr;12(2):190-6. doi: 10.1016/s0959-440x(02)00308-1. Curr Opin Struct Biol. 2002. PMID: 11959496 Review.

8

The effect of different cutoff schemes in molecular simulations of proteins.

Diem M, Oostenbrink C. Diem M, et al. Among authors: oostenbrink c. J Comput Chem. 2020 Dec 15;41(32):2740-2749. doi: 10.1002/jcc.26426. Epub 2020 Oct 7. J Comput Chem. 2020. PMID: 33026106 Free PMC article.

9

Protein-Ligand Binding from Distancefield Distances and Hamiltonian Replica Exchange Simulations.

de Ruiter A, Oostenbrink C. de Ruiter A, et al. Among authors: oostenbrink c. J Chem Theory Comput. 2013 Feb 12;9(2):883-92. doi: 10.1021/ct300967a. Epub 2013 Jan 10. J Chem Theory Comput. 2013. PMID: 26588732

10

Molecular modelling of sorption processes of a range of diverse small organic molecules in Leonardite humic acid.

Petrov D, Tunega D, Gerzabek MH, Oostenbrink C. Petrov D, et al. Among authors: oostenbrink c. Eur J Soil Sci. 2020 Sep;71(5):831-844. doi: 10.1111/ejss.12868. Epub 2019 Aug 20. Eur J Soil Sci. 2020. PMID: 33041627 Free PMC article.

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

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

218 results

Search Page

Filters