de Groot BL - Search Results

1

Structural basis for antibiotic action of the B₁ antivitamin 2'-methoxy-thiamine.

Rabe von Pappenheim F, Aldeghi M, Shome B, Begley T, de Groot BL, Tittmann K. Rabe von Pappenheim F, et al. Among authors: de groot bl. Nat Chem Biol. 2020 Nov;16(11):1237-1245. doi: 10.1038/s41589-020-0628-4. Epub 2020 Aug 24. Nat Chem Biol. 2020. PMID: 32839604

2

Discovery of novel human aquaporin-1 blockers.

Seeliger D, Zapater C, Krenc D, Haddoub R, Flitsch S, Beitz E, Cerdà J, de Groot BL. Seeliger D, et al. Among authors: de groot bl. ACS Chem Biol. 2013 Jan 18;8(1):249-56. doi: 10.1021/cb300153z. Epub 2012 Nov 7. ACS Chem Biol. 2013. PMID: 23113556

3

CHARMM36m: an improved force field for folded and intrinsically disordered proteins.

Huang J, Rauscher S, Nawrocki G, Ran T, Feig M, de Groot BL, Grubmüller H, MacKerell AD Jr. Huang J, et al. Among authors: de groot bl. Nat Methods. 2017 Jan;14(1):71-73. doi: 10.1038/nmeth.4067. Epub 2016 Nov 7. Nat Methods. 2017. PMID: 27819658 Free PMC article.

4

Resolving the Atomistic Modes of Anle138b Inhibitory Action on Peptide Oligomer Formation.

Matthes D, Gapsys V, Griesinger C, de Groot BL. Matthes D, et al. Among authors: de groot bl. ACS Chem Neurosci. 2017 Dec 20;8(12):2791-2808. doi: 10.1021/acschemneuro.7b00325. Epub 2017 Sep 28. ACS Chem Neurosci. 2017. PMID: 28906103 Free article.

5

Accurate Calculation of Free Energy Changes upon Amino Acid Mutation.

Aldeghi M, de Groot BL, Gapsys V. Aldeghi M, et al. Among authors: de groot bl. Methods Mol Biol. 2019;1851:19-47. doi: 10.1007/978-1-4939-8736-8_2. Methods Mol Biol. 2019. PMID: 30298390

6

Accurate Estimation of Ligand Binding Affinity Changes upon Protein Mutation.

Aldeghi M, Gapsys V, de Groot BL. Aldeghi M, et al. Among authors: de groot bl. ACS Cent Sci. 2018 Dec 26;4(12):1708-1718. doi: 10.1021/acscentsci.8b00717. Epub 2018 Dec 13. ACS Cent Sci. 2018. PMID: 30648154 Free PMC article.

7

A molecular mechanism for transthyretin amyloidogenesis.

Yee AW, Aldeghi M, Blakeley MP, Ostermann A, Mas PJ, Moulin M, de Sanctis D, Bowler MW, Mueller-Dieckmann C, Mitchell EP, Haertlein M, de Groot BL, Boeri Erba E, Forsyth VT. Yee AW, et al. Among authors: de groot bl, de sanctis d. Nat Commun. 2019 Feb 25;10(1):925. doi: 10.1038/s41467-019-08609-z. Nat Commun. 2019. PMID: 30804345 Free PMC article.

8

Predicting Kinase Inhibitor Resistance: Physics-Based and Data-Driven Approaches.

Aldeghi M, Gapsys V, de Groot BL. Aldeghi M, et al. Among authors: de groot bl. ACS Cent Sci. 2019 Aug 28;5(8):1468-1474. doi: 10.1021/acscentsci.9b00590. Epub 2019 Aug 13. ACS Cent Sci. 2019. PMID: 31482130 Free PMC article.

9

The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.

Rizzi A, Jensen T, Slochower DR, Aldeghi M, Gapsys V, Ntekoumes D, Bosisio S, Papadourakis M, Henriksen NM, de Groot BL, Cournia Z, Dickson A, Michel J, Gilson MK, Shirts MR, Mobley DL, Chodera JD. Rizzi A, et al. Among authors: de groot bl. J Comput Aided Mol Des. 2020 May;34(5):601-633. doi: 10.1007/s10822-020-00290-5. Epub 2020 Jan 27. J Comput Aided Mol Des. 2020. PMID: 31984465 Free PMC article.

10

Lipid-protein interactions modulate the conformational equilibrium of a potassium channel.

Gu RX, de Groot BL. Gu RX, et al. Among authors: de groot bl. Nat Commun. 2020 May 1;11(1):2162. doi: 10.1038/s41467-020-15741-8. Nat Commun. 2020. PMID: 32358584 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

214 results

Search Page

Filters