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Interplay of the bacterial ribosomal A-site, S12 protein mutations and paromomycin binding: a molecular dynamics study

PloS one, 2014-11, Vol.9 (11), p.e111811-e111811

2014

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Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism

Pharmaceuticals (Basel, Switzerland), 2022-04, Vol.15 (5), p.554

2022

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Structure and dynamics of pteridine reductase 1: the key phenomena relevant to enzyme function and drug design

European biophysics journal, 2023-10, Vol.52 (6-7), p.521-532

2023

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An engineered variant of MECR reductase reveals indispensability of long-chain acyl-ACPs for mitochondrial respiration

Nature communications, 2023-02, Vol.14 (1), p.619-15, Article 619

2023

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TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets

Nucleic acids research, 2017-07, Vol.45 (W1), p.W325

2017

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Molecular Dynamics of Potential rRNA Binders: Single-Stranded Nucleic Acids and Some Analogues

The journal of physical chemistry. B, 2011-01, Vol.115 (3), p.532-546

2011

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Conformational dynamics of bacterial and human cytoplasmic models of the ribosomal A-site

Biochimie, 2015-05, Vol.112, p.96-110

2015

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Role of S‑turn2 in the Structure, Dynamics, and Function of Mitochondrial Ribosomal A‑Site. A Bioinformatics and Molecular Dynamics Simulation Study

The journal of physical chemistry. B, 2014-06, Vol.118 (24), p.6687-6701

2014

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Anti-trypanosomatid structure-based drug design - lessons learned from targeting the folate pathway

Expert opinion on drug discovery, 2022-09, Vol.17 (9), p.1029-1045

2022

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Trimethylguanosine cap-fluorescent molecular rotor (TMG–FMR) conjugates are potent, specific snurportin1 ligands enabling visualization in living cells

Organic & biomolecular chemistry, 2024-08, Vol.22 (33), p.6763-6790

2024

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Interplay of the Bacterial Ribosomal A-Site, S12 Protein Mutations and Paromomycin Binding: A Molecular Dynamics Study: e111811

PloS one, 2014-11, Vol.9 (11)

2014

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Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1

Journal of medicinal chemistry, 2022-07, Vol.65 (13), p.9011-9033

2022

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Comparative mapping of on-targets and off-targets for the discovery of anti-trypanosomatid folate pathway inhibitors

Biochimica et biophysica acta. General subjects, 2017-12, Vol.1861 (12), p.3215-3230

2017

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Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition

Journal of computer-aided molecular design, 2017-08, Vol.31 (8), p.715-728

2017

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Accelerating Drug Discovery Efforts for Trypanosomatidic Infections Using an Integrated Transnational Academic Drug Discovery Platform

SLAS discovery, 2019-03, Vol.24 (3), p.346-361

2019

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Hits and Lead Discovery in the Identification of New Drugs against the Trypanosomatidic Infections

Medicinal Chemistry of Neglected and Tropical Diseases, 2019, p.185-231

1, 2019

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Interplay of the bacterial ribosomal A-site, S12 protein mutations and paromomycin binding: a molecular dynamics study

Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism

Structure and dynamics of pteridine reductase 1: the key phenomena relevant to enzyme function and drug design

An engineered variant of MECR reductase reveals indispensability of long-chain acyl-ACPs for mitochondrial respiration

TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets

Molecular Dynamics of Potential rRNA Binders: Single-Stranded Nucleic Acids and Some Analogues

Conformational dynamics of bacterial and human cytoplasmic models of the ribosomal A-site

Role of S‑turn2 in the Structure, Dynamics, and Function of Mitochondrial Ribosomal A‑Site. A Bioinformatics and Molecular Dynamics Simulation Study

Allostery in Its Many Disguises: From Theory to Applications

Anti-trypanosomatid structure-based drug design - lessons learned from targeting the folate pathway

Trimethylguanosine cap-fluorescent molecular rotor (TMG–FMR) conjugates are potent, specific snurportin1 ligands enabling visualization in living cells

Interplay of the Bacterial Ribosomal A-Site, S12 Protein Mutations and Paromomycin Binding: A Molecular Dynamics Study: e111811

Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1

Comparative mapping of on-targets and off-targets for the discovery of anti-trypanosomatid folate pathway inhibitors

Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition

Accelerating Drug Discovery Efforts for Trypanosomatidic Infections Using an Integrated Transnational Academic Drug Discovery Platform

Hits and Lead Discovery in the Identification of New Drugs against the Trypanosomatidic Infections

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