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How does the exosite of rhomboid protease affect substrate processing and inhibition?

Protein science, 2017-12, Vol.26 (12), p.2355-2366

2017

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Phage-Displayed Mimotopes of SARS-CoV-2 Spike Protein Targeted to Authentic and Alternative Cellular Receptors

Viruses, 2022-02, Vol.14 (2), p.384

2022

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Development and characterisation of SMURF2-targeting modifiers

Journal of enzyme inhibition and medicinal chemistry, 2021, Vol.36 (1), p.401-409

2021

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Stepwise Versus Concerted Mechanisms in General-Base Catalysis by Serine Proteases

Angewandte Chemie (International ed.), 2016-01, Vol.55 (5), p.1680-1684

International ed. in English, 2016

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The mechanism of papain inhibition by peptidyl aldehydes

Proteins, structure, function, and bioinformatics, 2011-03, Vol.79 (3), p.975-985

2011

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Molecular modeling of ARF6 dysregulation caused by mutations in IQSEC2

Journal of biomolecular structure & dynamics, 2024-02, Vol.42 (3), p.1268-1279

2024

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A new method for filtering of reactive “warheads” of transition-state analog protease inhibitors

European journal of medicinal chemistry, 2014-04, Vol.77, p.134-138

2014

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The Catalytic Machinery of Rhomboid Proteases: Combined MD and QM Simulations

Journal of chemical theory and computation, 2012-11, Vol.8 (11), p.4663-4671

2012

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Challenging a paradigm: Theoretical calculations of the protonation state of the Cys25-His159 catalytic diad in free papain

Proteins, structure, function, and bioinformatics, 2009-12, Vol.77 (4), p.916-926

2009

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Conformational analysis of the IQSEC2 protein by statistical thermodynamics

Current research in structural biology, 2024, Vol.8, p.100158, Article 100158

2024

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Application of EMBM to Structure-Based Design of Warheads for Protease Inhibitors

Molecular informatics, 2014-01, Vol.33 (1), p.36-42

2014

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Screening of the active site from water by the incoming ligand triggers catalysis and inhibition in serine proteases

Proteins, structure, function, and bioinformatics, 2008-03, Vol.70 (4), p.1578-1587

2008

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Stepwise Versus Concerted Mechanisms in General-Base Catalysis by Serine Proteases

Angewandte Chemie, 2016-01, Vol.128 (5), p.1712-1716

2016

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Differentiating Serine and Cysteine Protease Mechanisms by New Covalent QSAR Descriptors

Chembiochem : a European journal of chemical biology, 2011-05, Vol.12 (7), p.1023-1026

2011

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From Catalytic Mechanism to Rational Design of Reversible Covalent Inhibitors of Serine and Cysteine Hydrolases

Israel journal of chemistry, 2014-08, Vol.54 (8-9), p.1137-1151

2014

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Cooperative Effect Between Active Site Ionized Groups and Water Desolvation Controls the Alteration of Acid/Base Catalysis in Serine Proteases

Chembiochem : a European journal of chemical biology, 2007-08, Vol.8 (12), p.1416-1421

2007

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Peptidyl epoxides extended in the P′ direction as cysteine protease inhibitors: Effect on affinity and mechanism of inhibition

Bioorganic & medicinal chemistry, 2008-10, Vol.16 (19), p.9032-9039

2008

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Is there a weak H-bond → LBHB transition on tetrahedral complex formation in serine proteases?

Proteins, structure, function, and bioinformatics, 2004-02, Vol.54 (3), p.468-477

2004

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EMBM − A New Enzyme Mechanism-Based Method for Rational Design of Chemical Sites of Covalent Inhibitors

Journal of chemical information and modeling, 2010-12, Vol.50 (12), p.2256-2265

2010

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A New Oxopiperazin‐Based Peptidomimetic Molecule Inhibits Prostatic Acid Phosphatase Secretion and Induces Prostate Cancer Cell Apoptosis

ChemistrySelect (Weinheim), 2016-09, Vol.1 (15), p.4658-4667

2016

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Differentiating Serine and Cysteine Proteases Mechanism by New Covalent QSAR Descriptors

Chembiochem : a European journal of chemical biology, 2011-03, Vol.12 (7), p.1023-1026

2011

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Identification of protons position in acid-base enzyme catalyzed reactions: The hepatitis C viral NS3 protease

Proteins, structure, function, and bioinformatics, 2004-05, Vol.55 (2), p.245-250

2004

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Enzyme Isoselective Inhibitors: Application to Drug Design

ChemMedChem, 2006-06, Vol.1 (6), p.639-643

2006

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Nitrogen Inversion in Cyclic Amines and the Bicyclic Effect

Journal of organic chemistry, 2002-12, Vol.67 (26), p.9257-9266

2002

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Enzyme Isoselective Inhibitors: A Tool for Binding-Trend Analysis

ChemMedChem, 2006-06, Vol.1 (6), p.631-638

2006

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How does the exosite of rhomboid protease affect substrate processing and inhibition?

Phage-Displayed Mimotopes of SARS-CoV-2 Spike Protein Targeted to Authentic and Alternative Cellular Receptors

Development and characterisation of SMURF2-targeting modifiers

Stepwise Versus Concerted Mechanisms in General-Base Catalysis by Serine Proteases

The mechanism of papain inhibition by peptidyl aldehydes

Molecular modeling of ARF6 dysregulation caused by mutations in IQSEC2

A new method for filtering of reactive “warheads” of transition-state analog protease inhibitors

The Catalytic Machinery of Rhomboid Proteases: Combined MD and QM Simulations

Challenging a paradigm: Theoretical calculations of the protonation state of the Cys25-His159 catalytic diad in free papain

Conformational analysis of the IQSEC2 protein by statistical thermodynamics

Application of EMBM to Structure-Based Design of Warheads for Protease Inhibitors

Screening of the active site from water by the incoming ligand triggers catalysis and inhibition in serine proteases

Stepwise Versus Concerted Mechanisms in General-Base Catalysis by Serine Proteases

Differentiating Serine and Cysteine Protease Mechanisms by New Covalent QSAR Descriptors

From Catalytic Mechanism to Rational Design of Reversible Covalent Inhibitors of Serine and Cysteine Hydrolases

Cooperative Effect Between Active Site Ionized Groups and Water Desolvation Controls the Alteration of Acid/Base Catalysis in Serine Proteases

Peptidyl epoxides extended in the P′ direction as cysteine protease inhibitors: Effect on affinity and mechanism of inhibition

Is there a weak H-bond → LBHB transition on tetrahedral complex formation in serine proteases?

EMBM − A New Enzyme Mechanism-Based Method for Rational Design of Chemical Sites of Covalent Inhibitors

A New Oxopiperazin‐Based Peptidomimetic Molecule Inhibits Prostatic Acid Phosphatase Secretion and Induces Prostate Cancer Cell Apoptosis

Differentiating Serine and Cysteine Proteases Mechanism by New Covalent QSAR Descriptors

Identification of protons position in acid-base enzyme catalyzed reactions: The hepatitis C viral NS3 protease

Enzyme Isoselective Inhibitors: Application to Drug Design

Nitrogen Inversion in Cyclic Amines and the Bicyclic Effect

Enzyme Isoselective Inhibitors: A Tool for Binding-Trend Analysis

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