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Computational analysis to comprehend the structure-function properties of fibrinolytic enzymes from Bacillus spp for their efficient integration into industrial applications

Heliyon, 2024-07, Vol.10 (13), p.e33895, Article e33895

2024

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Glutathione Transferase: New Model for Glutathione Activation

Chemistry : a European journal, 2008-10, Vol.14 (31), p.9591-9598

2008

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Vascular endothelial growth factor (VEGF) inhibition--a critical review

Anti-cancer agents in medicinal chemistry, 2007-03, Vol.7 (2), p.223-245

2007

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Protein-ligand docking: Current status and future challenges

Proteins, structure, function, and bioinformatics, 2006-10, Vol.65 (1), p.15-26

2006

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Conformational diversity induces nanosecond-timescale chemical disorder in the HIV-1 protease reaction pathway

Chemical science (Cambridge), 2019-08, Vol.1 (3), p.7212-7221

2019

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The Catalytic Mechanism of Human Transketolase

Chemphyschem, 2019-11, Vol.20 (21), p.2881-2886

2019

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Reaction Mechanism of Mycobacterium Tuberculosis Glutamine Synthetase Using Quantum Mechanics/Molecular Mechanics Calculations

Chemistry : a European journal, 2016-06, Vol.22 (27), p.9218-9225

2016

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Glutamine synthetase structure‐catalysis relationship—Recent advances and applications

Wiley interdisciplinary reviews. Computational molecular science, 2019-07, Vol.9 (4), p.e1399-n/a

2019

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The molecular mechanism of action of snake venom toxins – a computational perspective

Toxicon (Oxford), 2024-09, Vol.248

Fernandes, Pedro Alexandrino

2024

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Mechanism of Glutathione Transferase P1-1-Catalyzed Activation of the Prodrug Canfosfamide (TLK286, TELCYTA)

Biochemistry (Easton), 2013-11, Vol.52 (45), p.8069-8078

2013

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Benchmark of Density Functionals for the Calculation of the Redox Potential of Fe3+/Fe2+ Within Protein Coordination Shells

Frontiers in chemistry, 2019-06, Vol.7, p.391-391

2019

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Multidimensional epistasis and fitness landscapes in enzyme evolution

Biochemical journal, 2012-07, Vol.445 (1), p.39-46

2012

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The Zinc proteome: a tale of stability and functionality

Dalton transactions : an international journal of inorganic chemistry, 2009-01 (38), p.7946-7956

2009

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HMG-CoA Reductase inhibitors: an updated review of patents of novel compounds and formulations (2011-2015)

Expert opinion on therapeutic patents, 2016-11, Vol.26 (11), p.1257-1272

2016

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Analysis of zinc-ligand bond lengths in metalloproteins: Trends and patterns

Proteins, structure, function, and bioinformatics, 2007-11, Vol.69 (3), p.466-475

2007

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Binding Mode Prediction and Identification of New Lead Compounds from Natural Products as 3-OST Enzyme Inhibitors

Letters in drug design & discovery, 2020-01, Vol.17 (9), p.1186-1196

2020

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Structure, Dynamics, and Energetics of ATP Hydrolysis by ABC Transporters

ACS central science, 2018-10, Vol.4 (10), p.1300-1302

2018

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PLP undergoes conformational changes during the course of an enzymatic reaction

Acta crystallographica. Section D, Biological crystallography., 2014-02, Vol.70 (2), p.596-606

2014

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The Search for the Mechanism of the Reaction Catalyzed by Farnesyltransferase

Chemistry : a European journal, 2009-04, Vol.15 (17), p.4243-4247

2009

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Molecular dynamics simulations on the critical states of the farnesyltransferase enzyme

Bioorganic & medicinal chemistry, 2009-05, Vol.17 (9), p.3369-3378

2009

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Glutathione Transferase Classes Alpha, Pi, and Mu: GSH Activation Mechanism

The journal of physical chemistry. B, 2010-10, Vol.114 (40), p.12972-12980

2010

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Comparative Assessment of Theoretical Methods for the Determination of Geometrical Properties in Biological Zinc Complexes

The journal of physical chemistry. B, 2007-08, Vol.111 (30), p.9146-9152

2007

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Mechanism for ribonucleotide reductase inactivation by the anticancer drug gemcitabine

Journal of computational chemistry, 2004-07, Vol.25 (10), p.1286-1294

2004

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Glutathione Transferase A1-1: Catalytic Importance of Arginine 15

The journal of physical chemistry. B, 2010-02, Vol.114 (4), p.1690-1697

2010

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General Performance of Density Functionals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-10, Vol.111 (42), p.10439-10452

2007

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Computational analysis to comprehend the structure-function properties of fibrinolytic enzymes from Bacillus spp for their efficient integration into industrial applications

Glutathione Transferase: New Model for Glutathione Activation

Vascular endothelial growth factor (VEGF) inhibition--a critical review

Protein-ligand docking: Current status and future challenges

Conformational diversity induces nanosecond-timescale chemical disorder in the HIV-1 protease reaction pathway

The Catalytic Mechanism of Human Transketolase

Reaction Mechanism of Mycobacterium Tuberculosis Glutamine Synthetase Using Quantum Mechanics/Molecular Mechanics Calculations

Glutamine synthetase structure‐catalysis relationship—Recent advances and applications

The molecular mechanism of action of snake venom toxins – a computational perspective

Mechanism of Glutathione Transferase P1-1-Catalyzed Activation of the Prodrug Canfosfamide (TLK286, TELCYTA)

Benchmark of Density Functionals for the Calculation of the Redox Potential of Fe3+/Fe2+ Within Protein Coordination Shells

Multidimensional epistasis and fitness landscapes in enzyme evolution

The Zinc proteome: a tale of stability and functionality

HMG-CoA Reductase inhibitors: an updated review of patents of novel compounds and formulations (2011-2015)

Analysis of zinc-ligand bond lengths in metalloproteins: Trends and patterns

Binding Mode Prediction and Identification of New Lead Compounds from Natural Products as 3-OST Enzyme Inhibitors

Structure, Dynamics, and Energetics of ATP Hydrolysis by ABC Transporters

PLP undergoes conformational changes during the course of an enzymatic reaction

The Search for the Mechanism of the Reaction Catalyzed by Farnesyltransferase

Molecular dynamics simulations on the critical states of the farnesyltransferase enzyme

Glutathione Transferase Classes Alpha, Pi, and Mu: GSH Activation Mechanism

Comparative Assessment of Theoretical Methods for the Determination of Geometrical Properties in Biological Zinc Complexes

Mechanism for ribonucleotide reductase inactivation by the anticancer drug gemcitabine

Glutathione Transferase A1-1: Catalytic Importance of Arginine 15

General Performance of Density Functionals

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