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KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.6081-6094

2020

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Tailored Presentation of Carbohydrates on a Coiled Coil-Based Scaffold for Asialoglycoprotein Receptor Targeting

ACS chemical biology, 2015-09, Vol.10 (9), p.2065-2072

2015

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The impact of molecular dynamics on drug design: applications for the characterization of ligand–macromolecule complexes

Drug discovery today, 2015-06, Vol.20 (6), p.686-702

2015

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Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces

Molecules (Basel, Switzerland), 2018-08, Vol.23 (8), p.1959

2018

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Coiled-Coils in Phage Display Screening: Insight into Exceptional Selectivity Provided by Molecular Dynamics

Journal of chemical information and modeling, 2015-03, Vol.55 (3), p.495-500

2015

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β- and γ‑Amino Acids at α‑Helical Interfaces: Toward the Formation of Highly Stable Foldameric Coiled Coils

ACS medicinal chemistry letters, 2014-12, Vol.5 (12), p.1300-1303

2014

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An Unusual Interstrand H‑Bond Stabilizes the Heteroassembly of Helical αβγ-Chimeras with Natural Peptides

ACS chemical biology, 2014-03, Vol.9 (3), p.613-616

2014

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Impact of fluorination on proteolytic stability of peptides: a case study with α-chymotrypsin and pepsin

Amino acids, 2014-12, Vol.46 (12), p.2733-2744

2014

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Anthocyanin composition, antioxidant efficiency, and α-amylase inhibitor activity of different Hungarian sour cherry varieties (Prunus cerasus L.)

Food chemistry, 2016-03, Vol.194, p.222-229

2016

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Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods

ChemMedChem, 2023-01, Vol.18 (1), p.e202200425-n/a

2023

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Design, synthesis and molecular docking study of novel quinoxalin-2(1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their cyclooxygenase-2 activity

European journal of medicinal chemistry, 2014-10, Vol.86, p.122-132

2014

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Impact of fluorination on proteolytic stability of peptides in human blood plasma

Bioorganic & medicinal chemistry, 2013-06, Vol.21 (12), p.3542-3546

2013

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Computational close up on protein-protein interactions: how to unravel the invisible using molecular dynamics simulations?

Wiley interdisciplinary reviews. Computational molecular science, 2015-09, Vol.5 (5), p.345-359

2015

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Inhibitory potency of flavonoid derivatives on influenza virus neuraminidase

Bioorganic & medicinal chemistry letters, 2014-09, Vol.24 (17), p.4312-4317

2014

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Arginase Structure and Inhibition: Catalytic Site Plasticity Reveals New Modulation Possibilities

Scientific reports, 2017-10, Vol.7 (1), p.13616-9, Article 13616

2017

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Synthesis, biological activity and structure–activity relationships of new benzoic acid-based protein tyrosine phosphatase inhibitors endowed with insulinomimetic effects in mouse C2C12 skeletal muscle cells

European journal of medicinal chemistry, 2014-01, Vol.71, p.112-127

2014

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Computational tools for in silico fragment-based drug design

Current topics in medicinal chemistry, 2012-09, Vol.12 (17), p.1935

2012

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NF-κB inducing kinase (NIK) inhibitors: Identification of new scaffolds using virtual screening

Bioorganic & medicinal chemistry letters, 2010-08, Vol.20 (15), p.4515-4520

2010

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3D-QSAR, design, synthesis and characterization of trisubstituted harmine derivatives with in vitro antiproliferative properties

European journal of medicinal chemistry, 2015-04, Vol.94, p.45-55

2015

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Synthesis, crystallographic characterization, molecular docking and biological activity of isoquinoline derivatives

BMC chemistry, 2017-10, Vol.11 (1), p.1

2017

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From carbohydrates to drug-like fragments: Rational development of novel α-amylase inhibitors

Bioorganic & medicinal chemistry, 2015-10, Vol.23 (20), p.6725-6732

2015

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α-Amylase Modulation: Discovery of Inhibitors Using a Multi-Pharmacophore Approach for Virtual Screening

ChemMedChem, 2016-11, Vol.11 (21), p.2372-2377

2016

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Identification of PPARγ Agonists from Natural Sources Using Different In Silico Approaches

Planta medica, 2015-04, Vol.81 (6), p.488

2015

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[alpha]-Amylase Modulation: Discovery of Inhibitors Using a Multi-Pharmacophore Approach for Virtual Screening

ChemMedChem, 2016-11, Vol.11 (21), p.2372

2016

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Identification of Small Molecules that Modulate Mutant p53 Condensation

iScience, 2020-09, Vol.23 (9), p.101517-101517, Article 101517

2020

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KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination

Tailored Presentation of Carbohydrates on a Coiled Coil-Based Scaffold for Asialoglycoprotein Receptor Targeting

The impact of molecular dynamics on drug design: applications for the characterization of ligand–macromolecule complexes

Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces

Coiled-Coils in Phage Display Screening: Insight into Exceptional Selectivity Provided by Molecular Dynamics

β- and γ‑Amino Acids at α‑Helical Interfaces: Toward the Formation of Highly Stable Foldameric Coiled Coils

An Unusual Interstrand H‑Bond Stabilizes the Heteroassembly of Helical αβγ-Chimeras with Natural Peptides

Impact of fluorination on proteolytic stability of peptides: a case study with α-chymotrypsin and pepsin

Anthocyanin composition, antioxidant efficiency, and α-amylase inhibitor activity of different Hungarian sour cherry varieties (Prunus cerasus L.)

Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods

Design, synthesis and molecular docking study of novel quinoxalin-2(1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their cyclooxygenase-2 activity

Impact of fluorination on proteolytic stability of peptides in human blood plasma

Computational close up on protein-protein interactions: how to unravel the invisible using molecular dynamics simulations?

Inhibitory potency of flavonoid derivatives on influenza virus neuraminidase

Arginase Structure and Inhibition: Catalytic Site Plasticity Reveals New Modulation Possibilities

Synthesis, biological activity and structure–activity relationships of new benzoic acid-based protein tyrosine phosphatase inhibitors endowed with insulinomimetic effects in mouse C2C12 skeletal muscle cells

Computational tools for in silico fragment-based drug design

NF-κB inducing kinase (NIK) inhibitors: Identification of new scaffolds using virtual screening

3D-QSAR, design, synthesis and characterization of trisubstituted harmine derivatives with in vitro antiproliferative properties

Synthesis, crystallographic characterization, molecular docking and biological activity of isoquinoline derivatives

From carbohydrates to drug-like fragments: Rational development of novel α-amylase inhibitors

α-Amylase Modulation: Discovery of Inhibitors Using a Multi-Pharmacophore Approach for Virtual Screening

Identification of PPARγ Agonists from Natural Sources Using Different In Silico Approaches

[alpha]-Amylase Modulation: Discovery of Inhibitors Using a Multi-Pharmacophore Approach for Virtual Screening

Identification of Small Molecules that Modulate Mutant p53 Condensation

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