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Items: 12

1.

The importance of the quaternary structure to represent conformational ensembles of the major Mycobacterium tuberculosis drug target.

Tarabini RF, Timmers LFSM, Sequeiros-Borja CE, Norberto de Souza O.

Sci Rep. 2019 Sep 23;9(1):13683. doi: 10.1038/s41598-019-50213-0.

2.

Missense mutations in DYT-TOR1A dystonia.

Iqbal Z, Koht J, Pihlstrøm L, Henriksen SP, Cappelletti C, Russel MB, Norberto de Souza O, Skogseid IM, Toft M.

Neurol Genet. 2019 Jun 6;5(4):e343. doi: 10.1212/NXG.0000000000000343. eCollection 2019 Aug. No abstract available. Erratum in: Neurol Genet. 2019 Aug 15;5(4):e350.

3.

Pre-clinical evaluation of quinoxaline-derived chalcones in tuberculosis.

Muradás TC, Abbadi BL, Villela AD, Macchi FS, Bergo PF, de Freitas TF, Sperotto NDM, Timmers LFSM, Norberto de Souza O, Picada JN, Fachini J, da Silva JB, de Albuquerque NCP, Habenschus MD, Carrão DB, Rocha BA, Barbosa Junior F, de Oliveira ARM, Mascarello A, Neuenfeldf P, Nunes RJ, Morbidoni HR, Campos MM, Basso LA, Rodrigues-Junior VS.

PLoS One. 2018 Aug 16;13(8):e0202568. doi: 10.1371/journal.pone.0202568. eCollection 2018.

4.

EPSP synthase flexibility is determinant to its function: computational molecular dynamics and metadynamics studies.

Timmers LFSM, Neto AMS, Montalvão RW, Basso LA, Santos DS, Norberto de Souza O.

J Mol Model. 2017 Jul;23(7):197. doi: 10.1007/s00894-017-3372-2. Epub 2017 Jun 7.

PMID:
28589464
5.

An Effective Approach for Clustering InhA Molecular Dynamics Trajectory Using Substrate-Binding Cavity Features.

De Paris R, Quevedo CV, Ruiz DD, Norberto de Souza O.

PLoS One. 2015 Jul 28;10(7):e0133172. doi: 10.1371/journal.pone.0133172. eCollection 2015.

6.

A network flow approach to predict protein targets and flavonoid backbones to treat respiratory syncytial virus infection.

Vargas JE, Puga R, de Faria Poloni J, Saraiva Macedo Timmers LF, Porto BN, Norberto de Souza O, Bonatto D, Condessa Pitrez PM, Tetelbom Stein R.

Biomed Res Int. 2015;2015:301635. doi: 10.1155/2015/301635. Epub 2015 Mar 22.

7.

Clustering molecular dynamics trajectories for optimizing docking experiments.

De Paris R, Quevedo CV, Ruiz DD, Norberto de Souza O, Barros RC.

Comput Intell Neurosci. 2015;2015:916240. doi: 10.1155/2015/916240. Epub 2015 Mar 22.

8.

Discovery of new inhibitors of Mycobacterium tuberculosis InhA enzyme using virtual screening and a 3D-pharmacophore-based approach.

Pauli I, dos Santos RN, Rostirolla DC, Martinelli LK, Ducati RG, Timmers LF, Basso LA, Santos DS, Guido RV, Andricopulo AD, Norberto de Souza O.

J Chem Inf Model. 2013 Sep 23;53(9):2390-401. doi: 10.1021/ci400202t. Epub 2013 Aug 20.

PMID:
23889525
9.
10.

The intrinsic curvature of a 51 bp K-DNA fragment of Leishmania tarentolae: a molecular model.

Norberto de Souza O, Goodfellow JM.

J Biomol Struct Dyn. 1998 Apr;15(5):905-30.

PMID:
9619513
12.

DNA structure, hydration and dynamics.

Goodfellow JM, Cruzeiro-Hansson L, Norberto de Souza O, Parker K, Sayle T, Umrania Y.

Int J Radiat Biol. 1994 Nov;66(5):471-8.

PMID:
7983434

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