van Vlijmen H - Search Results

1

Molecular Modeling of Drug-Transporter Interactions-An International Transporter Consortium Perspective.

Schlessinger A, Welch MA, van Vlijmen H, Korzekwa K, Swaan PW, Matsson P. Schlessinger A, et al. Among authors: van vlijmen h. Clin Pharmacol Ther. 2018 Nov;104(5):818-835. doi: 10.1002/cpt.1174. Epub 2018 Aug 30. Clin Pharmacol Ther. 2018. PMID: 29981151 Free PMC article. Review.

2

The FAIR Cookbook - the essential resource for and by FAIR doers.

Rocca-Serra P, Gu W, Ioannidis V, Abbassi-Daloii T, Capella-Gutierrez S, Chandramouliswaran I, Splendiani A, Burdett T, Giessmann RT, Henderson D, Batista D, Emam I, Gadiya Y, Giovanni L, Willighagen E, Evelo C, Gray AJG, Gribbon P, Juty N, Welter D, Quast K, Peeters P, Plasterer T, Wood C, van der Horst E, Reilly D, van Vlijmen H, Scollen S, Lister A, Thurston M, Granell R; FAIR Cookbook Contributors; Sansone SA. Rocca-Serra P, et al. Among authors: van vlijmen h. Sci Data. 2023 May 19;10(1):292. doi: 10.1038/s41597-023-02166-3. Sci Data. 2023. PMID: 37208467 Free PMC article.

3

Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling.

Tresadern G, Trabanco AA, Pérez-Benito L, Overington JP, van Vlijmen HWT, van Westen GJP. Tresadern G, et al. J Chem Inf Model. 2017 Dec 26;57(12):2976-2985. doi: 10.1021/acs.jcim.7b00338. Epub 2017 Dec 12. J Chem Inf Model. 2017. PMID: 29172488 Free PMC article.

4

Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein-Protein Interaction Interfaces.

Ghanakota P, van Vlijmen H, Sherman W, Beuming T. Ghanakota P, et al. Among authors: van vlijmen h. J Chem Inf Model. 2018 Apr 23;58(4):784-793. doi: 10.1021/acs.jcim.7b00487. Epub 2018 Apr 11. J Chem Inf Model. 2018. PMID: 29617116

5

Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4.

Wright DW, Wan S, Meyer C, van Vlijmen H, Tresadern G, Coveney PV. Wright DW, et al. Among authors: van vlijmen h. Sci Rep. 2019 Apr 12;9(1):6017. doi: 10.1038/s41598-019-41758-1. Sci Rep. 2019. PMID: 30979914 Free PMC article.

6

Assessment of the Fragment Docking Program SEED.

Goossens K, Wroblowski B, Langini C, van Vlijmen H, Caflisch A, De Winter H. Goossens K, et al. Among authors: van vlijmen h. J Chem Inf Model. 2020 Oct 26;60(10):4881-4893. doi: 10.1021/acs.jcim.0c00556. Epub 2020 Aug 31. J Chem Inf Model. 2020. PMID: 32820916

7

Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery.

Sabanés Zariquiey F, Jacoby E, Vos A, van Vlijmen HWT, Tresadern G, Harvey J. Sabanés Zariquiey F, et al. J Chem Inf Model. 2022 Feb 14;62(3):533-543. doi: 10.1021/acs.jcim.1c01164. Epub 2022 Jan 18. J Chem Inf Model. 2022. PMID: 35041430

8

Molecular modeling of a putative antagonist binding site on helix III of the beta-adrenoceptor.

van Vlijmen HW, IJzerman AP. van Vlijmen HW, et al. J Comput Aided Mol Des. 1989 Jun;3(2):165-74. doi: 10.1007/BF01557726. J Comput Aided Mol Des. 1989. PMID: 2570825

9

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.

Sherborne B, Shanmugasundaram V, Cheng AC, Christ CD, DesJarlais RL, Duca JS, Lewis RA, Loughney DA, Manas ES, McGaughey GB, Peishoff CE, van Vlijmen H. Sherborne B, et al. Among authors: van vlijmen h. J Comput Aided Mol Des. 2016 Dec;30(12):1139-1141. doi: 10.1007/s10822-016-9996-y. Epub 2016 Dec 24. J Comput Aided Mol Des. 2016. PMID: 28013427

10

Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation.

Pérez-Benito L, Keränen H, van Vlijmen H, Tresadern G. Pérez-Benito L, et al. Among authors: van vlijmen h. Sci Rep. 2018 Mar 20;8(1):4883. doi: 10.1038/s41598-018-23039-5. Sci Rep. 2018. PMID: 29559702 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

97 results

Search Page

Filters