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Docking and scoring with ICM: the benchmarking results and strategies for improvement

Journal of computer-aided molecular design, 2012-06, Vol.26 (6), p.675-686

2012

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Unusual Arginine Formations in Protein Function and Assembly: Rings, Strings, and Stacks

The journal of physical chemistry. B, 2012-06, Vol.116 (23), p.7006-7013

2012

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Anticancer steroids: linking natural and semi-synthetic compounds

Natural product reports, 2013-01, Vol.30 (2), p.324-374

2013

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Rational design of berberine-based FtsZ inhibitors with broad-spectrum antibacterial activity

PloS one, 2014-05, Vol.9 (5), p.e97514-e97514

2014

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Identification of a New Class of FtsZ Inhibitors by Structure-Based Design and in Vitro Screening

Journal of chemical information and modeling, 2013-08, Vol.53 (8), p.2131-2140

2013

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Dynamics-Based Discovery of Allosteric Inhibitors: Selection of New Ligands for the C-terminal Domain of Hsp90

Journal of chemical theory and computation, 2010-09, Vol.6 (9), p.2978-2989

2010

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Ligand-guided optimization of CXCR4 homology models for virtual screening using a multiple chemotype approach

Journal of computer-aided molecular design, 2010-12, Vol.24 (12), p.1023-1033

2010

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Fast Three Dimensional Pharmacophore Virtual Screening of New Potent Non-Steroid Aromatase Inhibitors

Journal of medicinal chemistry, 2009-01, Vol.52 (1), p.143-150

2009

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An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors

European journal of medicinal chemistry, 2009-10, Vol.44 (10), p.4121-4127

2009

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Validation of the AmpC β-Lactamase Binding Site and Identification of Inhibitors with Novel Scaffolds

Journal of chemical information and modeling, 2012-05, Vol.52 (5), p.1367-1375

2012

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Combining Computational and Biochemical Studies for a Rationale on the Anti-Aromatase Activity of Natural Polyphenols

ChemMedChem, 2007-12, Vol.2 (12), p.1750-1762

2007

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Biochemical and computational insights into the anti-aromatase activity of natural catechol estrogens

The Journal of steroid biochemistry and molecular biology, 2008-05, Vol.110 (1), p.10-17

2008

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Molecular recognition and drug-lead identification: what can molecular simulations tell us?

Current medicinal chemistry, 2010, Vol.17 (1), p.25-41

2010

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Anticancer steroids: linking natural and semi-synthetic compoundsThis manuscript is dedicated to Professor André Campos Neves, who was the former Director of the Laboratory of Pharmaceutical Chemistry and the pioneer of Steroid Chemistry at the University of Coimbra, Portugal

2013-01

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Validation of the AmpC [Beta]-Lactamase Binding Site and Identification of Inhibitors with Novel Scaffolds

Journal of chemical information and modeling, 2012-05, Vol.52 (5), p.1367

2012

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Rational Design of Berberine-Based FtsZ Inhibitors with Broad-Spectrum Antibacterial Activity: e97514

PloS one, 2014-05, Vol.9 (5)

2014

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Glycosaminoglycan-Inspired Biomaterials for the Development of Bioactive Hydrogel Networks

Molecules (Basel, Switzerland), 2020-02, Vol.25 (4), p.978

2020

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Few Ant Species Play a Central Role Linking Different Plant Resources in a Network in Rupestrian Grasslands

PloS one, 2016-12, Vol.11 (12), p.e0167161-e0167161

2016

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Molecular imaging using fluorescent lectins permits rapid endoscopic identification of dysplasia in Barrett's esophagus

Nature medicine, 2012-02, Vol.18 (2), p.315-321

2012

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Time to death from cervical cancer and its predictors in hospitalized patients: a survival approach study in Mato Grosso, Brazil

World journal of surgical oncology, 2024-10, Vol.22 (1), p.269-10, Article 269

2024

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The Effects of Concurrent Training Combining Both Resistance Exercise and High-Intensity Interval Training or Moderate-Intensity Continuous Training on Metabolic Syndrome

Frontiers in physiology, 2020-06, Vol.11, p.572-572

2020

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Ultra-sensitive detection of Mycobacterium leprae: DNA extraction and PCR assays

PLoS neglected tropical diseases, 2020-05, Vol.14 (5), p.e0008325-e0008325

2020

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Partially replacing sorghum silage with cactus (Opuntia stricta) cladodes in a soybean oil‐supplemented diet markedly increases trans‐11 18:1, cis‐9, trans‐11 CLA and 18:2 n‐6 contents in cow milk

Journal of animal physiology and animal nutrition, 2021-03, Vol.105 (2), p.232-246

2021

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Multiple Wire-Mesh Sensors Applied to the Characterization of Two-Phase Flow inside a Cyclonic Flow Distribution System

Sensors (Basel, Switzerland), 2019-01, Vol.19 (1), p.193

2019

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Ecological, flexible and transparent cellulose-based substrates without post-production treatment for organic electronic devices

Journal of materials science. Materials in electronics, 2023, Vol.34 (3), p.186, Article 186

2023

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Docking and scoring with ICM: the benchmarking results and strategies for improvement

Unusual Arginine Formations in Protein Function and Assembly: Rings, Strings, and Stacks

Anticancer steroids: linking natural and semi-synthetic compounds

Rational design of berberine-based FtsZ inhibitors with broad-spectrum antibacterial activity

Identification of a New Class of FtsZ Inhibitors by Structure-Based Design and in Vitro Screening

Dynamics-Based Discovery of Allosteric Inhibitors: Selection of New Ligands for the C-terminal Domain of Hsp90

Ligand-guided optimization of CXCR4 homology models for virtual screening using a multiple chemotype approach

Fast Three Dimensional Pharmacophore Virtual Screening of New Potent Non-Steroid Aromatase Inhibitors

An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors

Validation of the AmpC β-Lactamase Binding Site and Identification of Inhibitors with Novel Scaffolds

Combining Computational and Biochemical Studies for a Rationale on the Anti-Aromatase Activity of Natural Polyphenols

Biochemical and computational insights into the anti-aromatase activity of natural catechol estrogens

Molecular recognition and drug-lead identification: what can molecular simulations tell us?

Anticancer steroids: linking natural and semi-synthetic compoundsThis manuscript is dedicated to Professor André Campos Neves, who was the former Director of the Laboratory of Pharmaceutical Chemistry and the pioneer of Steroid Chemistry at the University of Coimbra, Portugal

Validation of the AmpC [Beta]-Lactamase Binding Site and Identification of Inhibitors with Novel Scaffolds

Rational Design of Berberine-Based FtsZ Inhibitors with Broad-Spectrum Antibacterial Activity: e97514

Glycosaminoglycan-Inspired Biomaterials for the Development of Bioactive Hydrogel Networks

Few Ant Species Play a Central Role Linking Different Plant Resources in a Network in Rupestrian Grasslands

Molecular imaging using fluorescent lectins permits rapid endoscopic identification of dysplasia in Barrett's esophagus

Time to death from cervical cancer and its predictors in hospitalized patients: a survival approach study in Mato Grosso, Brazil

The Effects of Concurrent Training Combining Both Resistance Exercise and High-Intensity Interval Training or Moderate-Intensity Continuous Training on Metabolic Syndrome

Ultra-sensitive detection of Mycobacterium leprae: DNA extraction and PCR assays

Partially replacing sorghum silage with cactus (Opuntia stricta) cladodes in a soybean oil‐supplemented diet markedly increases trans‐11 18:1, cis‐9, trans‐11 CLA and 18:2 n‐6 contents in cow milk

Multiple Wire-Mesh Sensors Applied to the Characterization of Two-Phase Flow inside a Cyclonic Flow Distribution System

Ecological, flexible and transparent cellulose-based substrates without post-production treatment for organic electronic devices

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