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Items: 11

1.

Ligand-induced conformational selection predicts the selectivity of cysteine protease inhibitors.

Sartori GR, Leitão A, Montanari CA, Laughton CA.

PLoS One. 2019 Dec 19;14(12):e0222055. doi: 10.1371/journal.pone.0222055. eCollection 2019.

2.

Comparative Analysis of Electrostatic Models for Ligand Docking.

Sartori GR, Nascimento AS.

Front Mol Biosci. 2019 Jul 3;6:52. doi: 10.3389/fmolb.2019.00052. eCollection 2019.

3.

Polymorphisms in plastoquinol oxidase (PTOX) from Arabidopsis accessions indicate SNP-induced structural variants associated with altitude and rainfall.

Thiers KLL, da Silva JHM, Sartori GR, Dos Santos CP, Saraiva KDDC, Roque ALM, Arnholdt-Schmitt B, Costa JH.

J Bioenerg Biomembr. 2019 Apr;51(2):151-164. doi: 10.1007/s10863-018-9784-6. Epub 2019 Jan 7.

PMID:
30617736
4.

Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds.

Borges NM, Sartori GR, Ribeiro JFR, Rocha JR, Martins JBL, Montanari CA, Gargano R.

J Mol Model. 2018 Jan 13;24(1):41. doi: 10.1007/s00894-017-3548-9.

PMID:
29332299
5.

Low health related quality of life associated with fractures in obese postmenopausal women in Santa Maria, Brazil.

Copês RM, Dal Osto LC, Langer FW, de Vieira AR, Codevilla AA, Sartori GR, Comim FV, Premaor MO.

Bone Rep. 2017 Feb 21;6:70-73. doi: 10.1016/j.bonr.2017.02.005. eCollection 2017 Jun.

6.

The influence of hydrogen bonding on partition coefficients.

Borges NM, Kenny PW, Montanari CA, Prokopczyk IM, Ribeiro JF, Rocha JR, Sartori GR.

J Comput Aided Mol Des. 2017 Feb;31(2):163-181. doi: 10.1007/s10822-016-0002-5. Epub 2017 Jan 4.

PMID:
28054187
7.

Highly predictive hologram QSAR models of nitrile-containing cruzain inhibitors.

Silva DG, Rocha JR, Sartori GR, Montanari CA.

J Biomol Struct Dyn. 2017 Nov;35(15):3232-3249. doi: 10.1080/07391102.2016.1252282. Epub 2016 Nov 28.

PMID:
27809673
8.

Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design.

Kenny PW, Montanari CA, Prokopczyk IM, Ribeiro JF, Sartori GR.

J Med Chem. 2016 May 12;59(9):4278-88. doi: 10.1021/acs.jmedchem.5b01946. Epub 2016 Feb 26.

PMID:
26872049
9.

Obesity and Fractures in Postmenopausal Women: A Primary-care Cross-Sectional Study at Santa Maria, Brazil.

Copês RM, Comim FV, Langer FW, Codevilla AA, Sartori GR, de Oliveira C, Cocco AR, de Almeida AM, de Almeida LL, Dal Osto LC, Compston JE, Premaor MO.

J Clin Densitom. 2015 Apr-Jun;18(2):165-71. doi: 10.1016/j.jocd.2014.09.005. Epub 2014 Dec 17.

PMID:
25534276
10.

Integration of methods in cheminformatics and biocalorimetry for the design of trypanosomatid enzyme inhibitors.

Prokopczyk IM, Ribeiro JF, Sartori GR, Sesti-Costa R, Silva JS, Freitas RF, Leitão A, Montanari CA.

Future Med Chem. 2014 Jan;6(1):17-33. doi: 10.4155/fmc.13.185.

PMID:
24358945
11.

Automated molecule editing in molecular design.

Kenny PW, Montanari CA, Prokopczyk IM, Sala FA, Sartori GR.

J Comput Aided Mol Des. 2013 Aug;27(8):655-64. doi: 10.1007/s10822-013-9676-0. Epub 2013 Sep 4.

PMID:
24002455

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