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Inhibitors of Xanthine Oxidase: Scaffold Diversity and Structure‐Based Drug Design

ChemMedChem, 2019-04, Vol.14 (7), p.714-743

2019

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Does the SARS-CoV-2 Spike Protein Receptor Binding Domain Interact Effectively with the DPP4 (CD26) Receptor? A Molecular Docking Study

International journal of molecular sciences, 2021-07, Vol.22 (13), p.7001

2021

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Prediction of heparin binding sites in bone morphogenetic proteins (BMPs)

Biochimica et biophysica acta, 2012-12, Vol.1824 (12), p.1374-1381

2012

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Revisiting the Interaction of Melittin with Phospholipid Bilayers: The Effects of Concentration and Ionic Strength

International journal of molecular sciences, 2020-01, Vol.21 (3), p.746

2020

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Functional and structural consequences of TBK1 missense variants in frontotemporal lobar degeneration and amyotrophic lateral sclerosis

Neurobiology of disease, 2022-11, Vol.174, p.105859-105859, Article 105859

2022

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The Molecular Docking of MAX Fungal Effectors with Plant HMA Domain-Binding Proteins

International journal of molecular sciences, 2023-10, Vol.24 (20), p.15239

2023

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An automated and combinative method for the predictive ranking of candidate effector proteins of fungal plant pathogens

Scientific reports, 2021-10, Vol.11 (1), p.19731-19731, Article 19731

2021

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The self‐association of HMGB1 and its possible role in the binding to DNA and cell membrane receptors

FEBS letters, 2017-01, Vol.591 (2), p.282-294

2017

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Ab Initio Modelling of the Structure of ToxA-like and MAX Fungal Effector Proteins

International journal of molecular sciences, 2023-03, Vol.24 (7), p.6262

2023

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Characterisation of the Structure and Oligomerisation of Islet Amyloid Polypeptides (IAPP): A Review of Molecular Dynamics Simulation Studies

Molecules (Basel, Switzerland), 2018-08, Vol.23 (9), p.2142

2018

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Template-Based Modelling of the Structure of Fungal Effector Proteins

Molecular biotechnology, 2024-04, Vol.66 (4), p.784-813

2024

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The Biological and Biophysical Properties of the Spider Peptide Gomesin

Molecules (Basel, Switzerland), 2018-07, Vol.23 (7), p.1733

2018

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Characterization of Protein-Facilitated Ion-Transfer Mechanism at a Polarized Aqueous/Organic Interface

The journal of physical chemistry. B, 2019-08, Vol.123 (34), p.7436-7444

2019

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Characterisation of the Molecular Mechanism of Permeation of the Prodrug Me-5ALA across the Human Stratum Corneum Using Molecular Dynamics Simulations

International journal of molecular sciences, 2022-12, Vol.23 (24), p.16001

2022

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Molecular Mechanism of the Synergistic Effects of Vitrification Solutions on the Stability of Phospholipid Bilayers

Biophysical journal, 2014-06, Vol.106 (12), p.2617-2624

2014

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A Simple but Effective Combination of pH Indicators for Plant Tissue Culture

Plants (Basel), 2023-02, Vol.12 (4), p.740

2023

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Understanding Insulin Endocrinology in Decapod Crustacea: Molecular Modelling Characterization of an Insulin-Binding Protein and Insulin-Like Peptides in the Eastern Spiny Lobster, Sagmariasus verreauxi

International journal of molecular sciences, 2017-08, Vol.18 (9), p.1832

2017

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Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking

Archives of Pharmacal Research, 2018, 41(12), , pp.1178-1189

2018

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Design and Characterization of a Cell-Penetrating Peptide Derived from the SOX2 Transcription Factor

International journal of molecular sciences, 2021-09, Vol.22 (17), p.9354

2021

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The effect of physicochemical factors on the self-association of HMGB1: A surface plasmon resonance study

Biochimica et biophysica acta, 2016-11, Vol.1864 (11), p.1620-1629

2016

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Characterization of the Conformations of Amyloid Beta 42 in Solution That May Mediate Its Initial Hydrophobic Aggregation

The journal of physical chemistry. B, 2022-10, Vol.126 (40), p.7916-7933

2022

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Molecular dynamics simulations of a DMSO/water mixture using the AMBER force field

Journal of molecular modeling, 2018-07, Vol.24 (7), p.174-8, Article 174

2018

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Free energy calculations of glycosaminoglycan-protein interactions

Glycobiology (Oxford), 2009-10, Vol.19 (10), p.1103-1115

2009

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Structure and intermolecular interactions in spheroidal high-density lipoprotein subpopulations

Journal of structural biology. X, 2021-01, Vol.5, p.100042-100042, Article 100042

2021

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The acidic tail of HMGB1 regulates its secondary structure and conformational flexibility: A circular dichroism and molecular dynamics simulation study

Computational and structural biotechnology journal, 2020-01, Vol.18, p.1160-1172

2020

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Inhibitors of Xanthine Oxidase: Scaffold Diversity and Structure‐Based Drug Design

Does the SARS-CoV-2 Spike Protein Receptor Binding Domain Interact Effectively with the DPP4 (CD26) Receptor? A Molecular Docking Study

Prediction of heparin binding sites in bone morphogenetic proteins (BMPs)

Revisiting the Interaction of Melittin with Phospholipid Bilayers: The Effects of Concentration and Ionic Strength

Functional and structural consequences of TBK1 missense variants in frontotemporal lobar degeneration and amyotrophic lateral sclerosis

The Molecular Docking of MAX Fungal Effectors with Plant HMA Domain-Binding Proteins

An automated and combinative method for the predictive ranking of candidate effector proteins of fungal plant pathogens

The self‐association of HMGB1 and its possible role in the binding to DNA and cell membrane receptors

Ab Initio Modelling of the Structure of ToxA-like and MAX Fungal Effector Proteins

Characterisation of the Structure and Oligomerisation of Islet Amyloid Polypeptides (IAPP): A Review of Molecular Dynamics Simulation Studies

Template-Based Modelling of the Structure of Fungal Effector Proteins

The Biological and Biophysical Properties of the Spider Peptide Gomesin

Characterization of Protein-Facilitated Ion-Transfer Mechanism at a Polarized Aqueous/Organic Interface

Characterisation of the Molecular Mechanism of Permeation of the Prodrug Me-5ALA across the Human Stratum Corneum Using Molecular Dynamics Simulations

Molecular Mechanism of the Synergistic Effects of Vitrification Solutions on the Stability of Phospholipid Bilayers

A Simple but Effective Combination of pH Indicators for Plant Tissue Culture

Understanding Insulin Endocrinology in Decapod Crustacea: Molecular Modelling Characterization of an Insulin-Binding Protein and Insulin-Like Peptides in the Eastern Spiny Lobster, Sagmariasus verreauxi

Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking

Design and Characterization of a Cell-Penetrating Peptide Derived from the SOX2 Transcription Factor

The effect of physicochemical factors on the self-association of HMGB1: A surface plasmon resonance study

Characterization of the Conformations of Amyloid Beta 42 in Solution That May Mediate Its Initial Hydrophobic Aggregation

Molecular dynamics simulations of a DMSO/water mixture using the AMBER force field

Free energy calculations of glycosaminoglycan-protein interactions

Structure and intermolecular interactions in spheroidal high-density lipoprotein subpopulations

The acidic tail of HMGB1 regulates its secondary structure and conformational flexibility: A circular dichroism and molecular dynamics simulation study

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