Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 1 to 20 of 126

1.

Accelerating Drug Discovery Efforts for Trypanosomatidic Infections Using an Integrated Transnational Academic Drug Discovery Platform.

Moraes CB, Witt G, Kuzikov M, Ellinger B, Calogeropoulou T, Prousis KC, Mangani S, Di Pisa F, Landi G, Iacono LD, Pozzi C, Freitas-Junior LH, Dos Santos Pascoalino B, Bertolacini CP, Behrens B, Keminer O, Leu J, Wolf M, Reinshagen J, Cordeiro-da-Silva A, Santarem N, Venturelli A, Wrigley S, Karunakaran D, Kebede B, Pöhner I, Müller W, Panecka-Hofman J, Wade RC, Fenske M, Clos J, Alunda JM, Corral MJ, Uliassi E, Bolognesi ML, Linciano P, Quotadamo A, Ferrari S, Santucci M, Borsari C, Costi MP, Gul S.

SLAS Discov. 2019 Mar;24(3):346-361. doi: 10.1177/2472555218823171.

PMID:
30784368
2.

Allostery in Its Many Disguises: From Theory to Applications.

Wodak SJ, Paci E, Dokholyan NV, Berezovsky IN, Horovitz A, Li J, Hilser VJ, Bahar I, Karanicolas J, Stock G, Hamm P, Stote RH, Eberhardt J, Chebaro Y, Dejaegere A, Cecchini M, Changeux JP, Bolhuis PG, Vreede J, Faccioli P, Orioli S, Ravasio R, Yan L, Brito C, Wyart M, Gkeka P, Rivalta I, Palermo G, McCammon JA, Panecka-Hofman J, Wade RC, Di Pizio A, Niv MY, Nussinov R, Tsai CJ, Jang H, Padhorny D, Kozakov D, McLeish T.

Structure. 2019 Apr 2;27(4):566-578. doi: 10.1016/j.str.2019.01.003. Epub 2019 Feb 7. Review.

PMID:
30744993
3.

Influence of Transmembrane Helix Mutations on Cytochrome P450-Membrane Interactions and Function.

Mustafa G, Nandekar PP, Camp TJ, Bruce NJ, Gregory MC, Sligar SG, Wade RC.

Biophys J. 2019 Feb 5;116(3):419-432. doi: 10.1016/j.bpj.2018.12.014. Epub 2019 Jan 3.

4.

Molecular Modeling in Drug Design.

Wade RC, Salo-Ahen OMH.

Molecules. 2019 Jan 17;24(2). pii: E321. doi: 10.3390/molecules24020321.

5.

Prediction of Drug-Target Binding Kinetics by Comparative Binding Energy Analysis.

Ganotra GK, Wade RC.

ACS Med Chem Lett. 2018 Oct 4;9(11):1134-1139. doi: 10.1021/acsmedchemlett.8b00397. eCollection 2018 Nov 8.

6.

The trypanocidal benzoxaborole AN7973 inhibits trypanosome mRNA processing.

Begolo D, Vincent IM, Giordani F, Pöhner I, Witty MJ, Rowan TG, Bengaly Z, Gillingwater K, Freund Y, Wade RC, Barrett MP, Clayton C.

PLoS Pathog. 2018 Sep 25;14(9):e1007315. doi: 10.1371/journal.ppat.1007315. eCollection 2018 Sep.

7.

Inter-subunit interactions drive divergent dynamics in mammalian and Plasmodium actin filaments.

Douglas RG, Nandekar P, Aktories JE, Kumar H, Weber R, Sattler JM, Singer M, Lepper S, Sadiq SK, Wade RC, Frischknecht F.

PLoS Biol. 2018 Jul 16;16(7):e2005345. doi: 10.1371/journal.pbio.2005345. eCollection 2018 Jul.

8.

Toward an Ensemble View of Chromatosome Structure: A Paradigm Shift from One to Many.

Öztürk MA, Cojocaru V, Wade RC.

Structure. 2018 Aug 7;26(8):1050-1057. doi: 10.1016/j.str.2018.05.009. Epub 2018 Jun 21. Review.

PMID:
29937356
9.

Estimation of Drug-Target Residence Times by τ-Random Acceleration Molecular Dynamics Simulations.

Kokh DB, Amaral M, Bomke J, Grädler U, Musil D, Buchstaller HP, Dreyer MK, Frech M, Lowinski M, Vallee F, Bianciotto M, Rak A, Wade RC.

J Chem Theory Comput. 2018 Jul 10;14(7):3859-3869. doi: 10.1021/acs.jctc.8b00230. Epub 2018 Jun 4.

10.

Dependence of Chromatosome Structure on Linker Histone Sequence and Posttranslational Modification.

Öztürk MA, Cojocaru V, Wade RC.

Biophys J. 2018 May 22;114(10):2363-2375. doi: 10.1016/j.bpj.2018.04.034. Epub 2018 May 11.

11.

Halogen-Aromatic π Interactions Modulate Inhibitor Residence Times.

Heroven C, Georgi V, Ganotra GK, Brennan P, Wolfreys F, Wade RC, Fernández-Montalván AE, Chaikuad A, Knapp S.

Angew Chem Int Ed Engl. 2018 Jun 11;57(24):7220-7224. doi: 10.1002/anie.201801666. Epub 2018 May 9.

PMID:
29601130
12.

Impact of carbonylation on glutathione peroxidase-1 activity in human hyperglycemic endothelial cells.

Sultan CS, Saackel A, Stank A, Fleming T, Fedorova M, Hoffmann R, Wade RC, Hecker M, Wagner AH.

Redox Biol. 2018 Jun;16:113-122. doi: 10.1016/j.redox.2018.02.018. Epub 2018 Mar 1.

13.

A novel homozygous ARL13B variant in patients with Joubert syndrome impairs its guanine nucleotide-exchange factor activity.

Rafiullah R, Long AB, Ivanova AA, Ali H, Berkel S, Mustafa G, Paramasivam N, Schlesner M, Wiemann S, Wade RC, Bolthauser E, Blum M, Kahn RA, Caspary T, Rappold GA.

Eur J Hum Genet. 2017 Dec;25(12):1324-1334. doi: 10.1038/s41431-017-0031-0. Epub 2017 Nov 15.

14.

New approaches for computing ligand-receptor binding kinetics.

Bruce NJ, Ganotra GK, Kokh DB, Sadiq SK, Wade RC.

Curr Opin Struct Biol. 2018 Apr;49:1-10. doi: 10.1016/j.sbi.2017.10.001. Epub 2017 Nov 11. Review.

PMID:
29132080
15.

Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.

Linciano P, Dawson A, Pöhner I, Costa DM, Sá MS, Cordeiro-da-Silva A, Luciani R, Gul S, Witt G, Ellinger B, Kuzikov M, Gribbon P, Reinshagen J, Wolf M, Behrens B, Hannaert V, Michels PAM, Nerini E, Pozzi C, di Pisa F, Landi G, Santarem N, Ferrari S, Saxena P, Lazzari S, Cannazza G, Freitas-Junior LH, Moraes CB, Pascoalino BS, Alcântara LM, Bertolacini CP, Fontana V, Wittig U, Müller W, Wade RC, Hunter WN, Mangani S, Costantino L, Costi MP.

ACS Omega. 2017 Sep 30;2(9):5666-5683. doi: 10.1021/acsomega.7b00473. Epub 2017 Sep 11.

16.

Comparative mapping of on-targets and off-targets for the discovery of anti-trypanosomatid folate pathway inhibitors.

Panecka-Hofman J, Pöhner I, Spyrakis F, Zeppelin T, Di Pisa F, Dello Iacono L, Bonucci A, Quotadamo A, Venturelli A, Mangani S, Costi MP, Wade RC.

Biochim Biophys Acta Gen Subj. 2017 Dec;1861(12):3215-3230. doi: 10.1016/j.bbagen.2017.09.012. Epub 2017 Sep 20.

PMID:
28939533
17.

Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition.

Jedwabny W, Panecka-Hofman J, Dyguda-Kazimierowicz E, Wade RC, Sokalski WA.

J Comput Aided Mol Des. 2017 Aug;31(8):715-728. doi: 10.1007/s10822-017-0035-4. Epub 2017 Jul 7.

18.

A unique profilin-actin interface is important for malaria parasite motility.

Moreau CA, Bhargav SP, Kumar H, Quadt KA, Piirainen H, Strauss L, Kehrer J, Streichfuss M, Spatz JP, Wade RC, Kursula I, Frischknecht F.

PLoS Pathog. 2017 May 26;13(5):e1006412. doi: 10.1371/journal.ppat.1006412. eCollection 2017 May.

19.

Evolution of an intricate J-protein network driving protein disaggregation in eukaryotes.

Nillegoda NB, Stank A, Malinverni D, Alberts N, Szlachcic A, Barducci A, De Los Rios P, Wade RC, Bukau B.

Elife. 2017 May 15;6. pii: e24560. doi: 10.7554/eLife.24560.

20.

TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets.

Stank A, Kokh DB, Horn M, Sizikova E, Neil R, Panecka J, Richter S, Wade RC.

Nucleic Acids Res. 2017 Jul 3;45(W1):W325-W330. doi: 10.1093/nar/gkx277.

Supplemental Content

Loading ...
Support Center