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List of works by Rodolpho C. Braga

3D-QSAR approaches in drug design: perspectives to generate reliable CoMFA models

scientific article published on January 2014

Advances in methods for predicting phase I metabolism of polyphenols

scientific article published on January 2014

Alarms about structural alerts

scientific article published on 28 June 2016

Assessing the performance of 3D pharmacophore models in virtual screening: how good are they?

scientific article published on January 2013

Catalytic Applications of Chiral Organoselenium Compounds in Asymmetric Synthesis

Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone

article

Deep Learning-driven research for drug discovery: Tackling Malaria

scientific article published on 18 February 2020

Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.

scientific article published on 14 February 2017

Determination of the cardioactive prototype LASSBio-294 and its metabolites in dog plasma by LC–MS/MS: Application for a pharmacokinetic study

scientific article published on 03 March 2011

Development of topotecan loaded lipid nanoparticles for chemical stabilization and prolonged release.

scientific article

Dihydropyrimidin-(2H)-ones obtained by ultrasound irradiation: a new class of potential antioxidant agents.

scientific article published on 3 March 2006

Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening

scientific article

Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches

scientific article published on 13 February 2013

Déjà vu: Stimulating open drug discovery for SARS-CoV-2

scientific article published on 19 April 2020

Efficient synthesis of chiral beta-seleno amides via ring-opening reaction of 2-oxazolines and their application in the palladium-catalyzed asymmetric allylic alkylation

scientific article published in October 2005

Evaluation of cytotoxic effect of the combination of a pyridinyl carboxamide derivative and oxaliplatin on NCI-H1299 human non-small cell lung carcinoma cells

scientific article published on 18 October 2016

In silico repositioning-chemogenomics strategy identifies new drugs with potential activity against multiple life stages of Schistosoma mansoni

scientific article

Microbial β-glycosylation of entacapone by Cunninghamella echinulata ATCC 9245

scientific article published on 04 February 2012

Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals.

scientific article published on May 2017

Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity

scientific article

QSAR and QM/MM Approaches Applied to Drug Metabolism Prediction ⬇️

scientific article published on June 1, 2012

QSAR models of human data can enrich or replace LLNA testing for human skin sensitization

scientific article

QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni

scientific article published on 02 June 2016

Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies

scientific article published on 31 July 2012

Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype LASSBio-294

scientific article published on 21 April 2010

The A-Z of Zika drug discovery

scientific article published on 20 June 2018

Tuning HERG out: antitarget QSAR models for drug development

scientific article

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