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High Throughput Virtual Screening to Discover Inhibitors of the Main Protease of the Coronavirus SARS-CoV-2

Molecules (Basel, Switzerland), 2020-07, Vol.25 (14), p.3193

2020

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The Influences of Sulphation, Salt Type, and Salt Concentration on the Structural Heterogeneity of Glycosaminoglycans

International journal of molecular sciences, 2021-10, Vol.22 (21), p.11529

2021

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Structural Basis of Antisickling Effects of Selected FDA Approved Drugs: A Drug Repurposing Study

Current computer-aided drug design, 2018-01, Vol.14 (2), p.106-116

2018

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Quinoline Antimalarials Increase the Antibacterial Activity of Ampicillin

Frontiers in microbiology, 2021-06, Vol.12, p.556550-556550

2021

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Antibiofilm agents with therapeutic potential against enteroaggregative Escherichia coli

PLoS neglected tropical diseases, 2022-10, Vol.16 (10), p.e0010809

2022

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Dataset of AMBER force field parameters of drugs, natural products and steroids for simulations using GROMACS

Data in brief, 2021-04, Vol.35, p.106948-106948, Article 106948

2021

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Early amyloid β-protein aggregation precedes conformational change

Chemical communications (Cambridge, England), 2014-05, Vol.50 (40), p.5373-5375

2014

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Amyloid aggregation inhibitory mechanism of arginine-rich D-peptides

Current medicinal chemistry, 2014, Vol.21 (12), p.1448-1457

2014

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Multiscale MD simulations of wild‐type and sickle hemoglobin aggregation

Proteins, structure, function, and bioinformatics, 2022-11, Vol.90 (11), p.1811-1824

2022

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Computational Analysis of Physicochemical Factors Driving CYP2D6 Ligand Interaction

Current computer-aided drug design, 2017-01, Vol.13 (1), p.39-47

2017

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Computational Prospecting for the Pharmacological Mechanism of Activity: HIV-1 Inhibition by Ixoratannin A-2

Current computer-aided drug design, 2020-01, Vol.16 (4), p.376-388

2020

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Structures of the Amyloid β-Peptides Aβ1–40 and Aβ1–42 as Influenced by pH and a d-Peptide

The journal of physical chemistry. B, 2012-03, Vol.116 (10), p.3280-3291

2012

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Breath-hold PET/CT-guided tumour ablation under general anaesthesia: accuracy of tumour image registration and projected ablation zone overlap

Clinical radiology, 2017-03, Vol.72 (3), p.223-229

2017

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A brief history of amyloid aggregation simulations

Wiley interdisciplinary reviews. Computational molecular science, 2024-01, Vol.14 (1), p.e1703-n/a

2024

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Topology and parameter data of thirteen non-natural amino acids for molecular simulations with CHARMM22

Data in brief, 2016-12, Vol.9 (C), p.642-647

2016

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Structure-Based Study of Natural Products with Anti-Schistosoma Activity

Current computer-aided drug design, 2017-06, Vol.13 (2), p.91-100

2017

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Computer simulations of protein-membrane systems

Progress in molecular biology and translational science, 2020, Vol.170, p.273-403

2020

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Rational Drug Design of Peptide-Based Therapies for Sickle Cell Disease

Molecules (Basel, Switzerland), 2019-12, Vol.24 (24), p.4551

2019

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Novel inhibitors of the main protease enzyme of SARS-CoV-2 identified via molecular dynamics simulation-guided in vitro assay

Bioorganic chemistry, 2021-06, Vol.111, p.104862-104862, Article 104862

2021

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Structural Optimization of Mangiferin Binding to Cancer Molecular Targets: A Guide for Synthetic Derivatization

Current computer-aided drug design, 2018-01, Vol.14 (4), p.292-301

2018

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An Investigation of Technology Capability in Small and Medium-Sized Enterprises (SMEs)

Journal of management sciences (Karachi), 2022-10, Vol.9 (2), p.21-31

T. O, Olubiyi

2022

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ISOLATION OF NOVEL PARA-PENTYL PHENYL BENZOATE FROM MONDIA WHITEI . (HOOK.F.) SKEELS (PERIPLOCACEAE), ITS STRUCTURE, SYNTHESIS AND NEUROPHARMACOLOGICAL EVALUATION

African journal of traditional, complementary, and alternative medicines, 2017-01, Vol.14 (1), p.219-230

2017

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Identification of compounds with cytotoxic activity from the leaf of the Nigerian medicinal plant, Anacardium occidentale L. (Anacardiaceae)

Bioorganic & medicinal chemistry, 2017-04, Vol.25 (8), p.2327-2335

2017

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Dopamine binds calmodulin during autoregulation of dopaminergic D2 receptor signaling through CaMKIIα-calmodulin complex

Journal of receptors and signal transduction, 2016-05, Vol.36 (3), p.271-277

2016

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Polyphenolic compounds with anti-tumour potential from Corchorus olitorius (L.) Tiliaceae, a Nigerian leaf vegetable

Bioorganic & medicinal chemistry letters, 2016-08, Vol.26 (15), p.3404-3410

2016

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High Throughput Virtual Screening to Discover Inhibitors of the Main Protease of the Coronavirus SARS-CoV-2

The Influences of Sulphation, Salt Type, and Salt Concentration on the Structural Heterogeneity of Glycosaminoglycans

Structural Basis of Antisickling Effects of Selected FDA Approved Drugs: A Drug Repurposing Study

Quinoline Antimalarials Increase the Antibacterial Activity of Ampicillin

Antibiofilm agents with therapeutic potential against enteroaggregative Escherichia coli

Dataset of AMBER force field parameters of drugs, natural products and steroids for simulations using GROMACS

Early amyloid β-protein aggregation precedes conformational change

Amyloid aggregation inhibitory mechanism of arginine-rich D-peptides

Multiscale MD simulations of wild‐type and sickle hemoglobin aggregation

Computational Analysis of Physicochemical Factors Driving CYP2D6 Ligand Interaction

Computational Prospecting for the Pharmacological Mechanism of Activity: HIV-1 Inhibition by Ixoratannin A-2

Structures of the Amyloid β-Peptides Aβ1–40 and Aβ1–42 as Influenced by pH and a d-Peptide

Breath-hold PET/CT-guided tumour ablation under general anaesthesia: accuracy of tumour image registration and projected ablation zone overlap

A brief history of amyloid aggregation simulations

Topology and parameter data of thirteen non-natural amino acids for molecular simulations with CHARMM22

Structure-Based Study of Natural Products with Anti-Schistosoma Activity

Computer simulations of protein-membrane systems

Rational Drug Design of Peptide-Based Therapies for Sickle Cell Disease

Novel inhibitors of the main protease enzyme of SARS-CoV-2 identified via molecular dynamics simulation-guided in vitro assay

Structural Optimization of Mangiferin Binding to Cancer Molecular Targets: A Guide for Synthetic Derivatization

An Investigation of Technology Capability in Small and Medium-Sized Enterprises (SMEs)

ISOLATION OF NOVEL PARA-PENTYL PHENYL BENZOATE FROM MONDIA WHITEI . (HOOK.F.) SKEELS (PERIPLOCACEAE), ITS STRUCTURE, SYNTHESIS AND NEUROPHARMACOLOGICAL EVALUATION

Identification of compounds with cytotoxic activity from the leaf of the Nigerian medicinal plant, Anacardium occidentale L. (Anacardiaceae)

Dopamine binds calmodulin during autoregulation of dopaminergic D2 receptor signaling through CaMKIIα-calmodulin complex

Polyphenolic compounds with anti-tumour potential from Corchorus olitorius (L.) Tiliaceae, a Nigerian leaf vegetable

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