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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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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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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 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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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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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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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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Dehydration of Ribonucleotides Catalyzed by Ribonucleotide Reductase: The Role of the Enzyme

Biophysical journal, 2006-03, Vol.90 (6), p.2109-2119

2006

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Pharmacological re-assessment of traditional medicinal plants-derived inhibitors as antidotes against snakebite envenoming: A critical review

Journal of ethnopharmacology, 2022-06, Vol.292, p.115208-115208, Article 115208

2022

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Advances in the Therapeutic Application of Small-Molecule Inhibitors and Repurposed Drugs against Snakebite

Journal of medicinal chemistry, 2021-10, Vol.64 (19), p.13938-13979

2021

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Binding studies of promethazine and its metabolites with human serum albumin by high-performance affinity chromatography and molecular docking in the presence of codeine

Analytical and bioanalytical chemistry, 2024-08, Vol.416 (20), p.4605-4618

2024

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Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase

Proceedings of the National Academy of Sciences - PNAS, 2017-06, Vol.114 (24), p.E4724-E4733

2017

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Advances in the Therapeutic Application of Small-Molecule Inhibitors and Repurposed Drugs against Snakebite: Miniperspective

Journal of medicinal chemistry, 2021-10, Vol.64 (19), p.13938-13979

2021

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The Current Status of the NNRTI Family of Antiretrovirals Used Against HIV Infection

Current medicinal chemistry, 2008-05, Vol.15 (11), p.1083-1095

2008

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Unraveling the cGAS catalytic mechanism upon DNA activation through molecular dynamics simulations

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (15), p.9524-9531

2021

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Corrigendum to “Computational analysis to comprehend the structure-function properties of fibrinolytic enzymes from Bacillus spp for their efficient integration into industrial applications” [Heliyon 10(13), July 2024, e33895]

Heliyon, 2024-09, p.e36852, Article e36852

2024

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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

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

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

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)

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

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

Glutathione Transferase A1-1: Catalytic Importance of Arginine 15

General Performance of Density Functionals

Dehydration of Ribonucleotides Catalyzed by Ribonucleotide Reductase: The Role of the Enzyme

Pharmacological re-assessment of traditional medicinal plants-derived inhibitors as antidotes against snakebite envenoming: A critical review

Advances in the Therapeutic Application of Small-Molecule Inhibitors and Repurposed Drugs against Snakebite

Binding studies of promethazine and its metabolites with human serum albumin by high-performance affinity chromatography and molecular docking in the presence of codeine

Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase

Advances in the Therapeutic Application of Small-Molecule Inhibitors and Repurposed Drugs against Snakebite: Miniperspective

The Current Status of the NNRTI Family of Antiretrovirals Used Against HIV Infection

Unraveling the cGAS catalytic mechanism upon DNA activation through molecular dynamics simulations

Corrigendum to “Computational analysis to comprehend the structure-function properties of fibrinolytic enzymes from Bacillus spp for their efficient integration into industrial applications” [Heliyon 10(13), July 2024, e33895]

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