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List of works by Tiago Rodrigues

A Water-Bridged Cysteine-Cysteine Redox Regulation Mechanism in Bacterial Protein Tyrosine Phosphatases

scientific article published on 12 October 2017

Accessing new chemical entities through microfluidic systems

scientific article published on 06 May 2014

Antibody-drug conjugates: The missing link.

scientific article

Antiplasmodial Drugs in the Gas Phase: A CID and DFT Study of Quinolon-4(1H)-Imine Derivatives

scientific article published on 08 July 2014

Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' Molecules

scientific article published on 07 February 2013

Chemoselective Installation of Amine Bonds on Proteins through Aza-Michael Ligation

scientific article published on 5 December 2017

Combinatorial chemistry by ant colony optimization.

scientific article

Computational advances in combating colloidal aggregation in drug discovery

scientific article published on 15 April 2019

Coping with polypharmacology by computational medicinal chemistry

scientific article

Counting on natural products for drug design

scientific article published on 25 April 2016

De Novo Fragment Design for Drug Discovery and Chemical Biology

scientific article

Design, synthesis and structure-activity relationships of (1H-pyridin-4-ylidene)amines as potential antimalarials

scientific article published on 9 May 2009

Development of Antibody-Directed Therapies: Quo Vadis?

scientific article published on 17 January 2018

Dissecting celastrol with machine learning to unveil dark pharmacology

scientific article published on 01 May 2019

Drug screen targeted at Plasmodium liver stages identifies a potent multistage antimalarial drug

scientific article

Drugs by numbers: reaction-driven de novo design of potent and selective anticancer leads

scientific article published on 20 November 2012

Evaluation of linker length effects on a BET bromodomain probe

scientific article published on 01 August 2019

Exploration of Long-Chain Vitamin E Metabolites for the Discovery of a Highly Potent, Orally Effective, and Metabolically Stable 5-LOX Inhibitor that Limits Inflammation

scientific article published on 19 July 2021

Exploring the Molecular Basis of Qo bc1 Complex Inhibitors Activity to Find Novel Antimalarials Hits.

scientific article published on 20 June 2013

Facts and Figures on Materials Science and Nanotechnology Progress and Investment

scientific article published on 29 July 2021

Flavones as isosteres of 4(1H)-quinolones: discovery of ligand efficient and dual stage antimalarial lead compounds

scientific article published on 20 September 2013

Fragment-Based De Novo Design Reveals a Small-Molecule Inhibitor of Helicobacter Pylori HtrA.

scientific article published on 9 June 2015

From Complex Natural Products to Simple Synthetic Mimetics by Computational De Novo Design

scientific article published on 25 April 2016

From Virtual Screening to Bioactive Compounds by Visualizing and Clustering of Chemical Space

scholarly article by Alexander Klenner et al published 30 November 2011 in Molecular Informatics

Go with the flow: de-orphaning focused combinatorial libraries.

scientific article published on 11 March 2014

Harnessing the potential of natural products in drug discovery from a cheminformatics vantage point

scientific article

Identification of new antimalarial leads by use of virtual screening against cytochrome bc₁.

scientific article published on 10 September 2011

Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

scientific article published on 03 March 2014

Machine intelligence decrypts β-lapachone as an allosteric 5-lipoxygenase inhibitor

scientific article published on 17 July 2018

Machine learning for target discovery in drug development

scientific article published on 14 November 2019

Multi-objective molecular de novo design by adaptive fragment prioritization.

scientific article published on 12 March 2014

Multidimensional De Novo Design Reveals 5-HT2BReceptor-Selective Ligands

scientific article published on 04 December 2014

Natural product modulators of transient receptor potential (TRP) channels as potential anti-cancer agents

scientific article published on 18 February 2016

Natural product–drug conjugates for modulation of TRPV1-expressing tumors

scientific article published on 13 March 2019

New Hope in the Fight Against Malaria? ⬇️

scientific article published on January 1, 2011

Quinolin-4(1H)-imines are potent antiplasmodial drugs targeting the liver stage of malaria

scientific article published on 23 May 2013

Repurposing de novo designed entities reveals phosphodiesterase 3B and cathepsin L modulators

scientific article published on 01 May 2015

Revealing the Macromolecular Targets of Fragment-Like Natural Products

scientific article published on 17 July 2015

Revealing the macromolecular targets of complex natural products

scientific article published on 2 November 2014

Steering target selectivity and potency by fragment-based de novo drug design

scientific article published on 26 August 2013

Target prediction by cascaded self-organizing maps for ligand de-orphaning and side-effect investigation.

scientific article published on 11 March 2014

Targeting flexibility: a structure-based computational study revealing allosteric HIV-1 protease inhibitors.

scientific article published on 11 March 2014

Targeting the Liver Stage of Malaria Parasites: A Yet Unmet Goal ⬇️

scientific article published on December 21, 2011

Unanticipated acyloxymethylation of sumatriptan indole nitrogen atom and its implications in prodrug design

scientific article published in June 2008

Unveiling (-)-Englerin A as a Modulator of L-Type Calcium Channels

scientific article published on 8 July 2016

Vinyl Ether/Tetrazine Pair for the Traceless Release of Alcohols in Cells.

scientific article

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