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Optimization of CHARMM force field parameters for ryanodine receptor inhibitory drug dantrolene using FFTK and FFParam

Journal of molecular modeling, 2024-02, Vol.30 (2), p.46-46, Article 46

2024

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Catch-bond mechanism of the bacterial adhesin FimH

Nature communications, 2016-03, Vol.7 (1), p.10738-10738, Article 10738

2016

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Trisubstituted-Imidazoles Induce Apoptosis in Human Breast Cancer Cells by Targeting the Oncogenic PI3K/Akt/mTOR Signaling Pathway

PloS one, 2016-04, Vol.11 (4), p.e0153155

2016

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A PDI-catalyzed thiol–disulfide switch regulates the production of hydrogen peroxide by human Ero1

Free radical biology & medicine, 2015-06, Vol.83, p.361-372

2015

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Optimization of CHARMM force field parameters of a prostate cancer drug enzalutamide

Journal of molecular graphics & modelling, 2020-05, Vol.96, p.107541-107541, Article 107541

Baday, Sefer

2020

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Functional asymmetry within the Sec61p translocon

Proceedings of the National Academy of Sciences - PNAS, 2013-11, Vol.110 (47), p.18856-18861

2013

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Synthesis, Computational Studies, and Anti-Tuberculosis Activity of Benzoxazines That Act as RAGE Inhibitors

Applied Microbiology (Basel), 2023-02, Vol.3 (1), p.254-264

2023

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Drug Repurposing Against SARS-CoV-2: Targeting NSP16-NSP10 Interaction

Journal of the Turkish Chemical Society, Section A, Chemistry, 2021-08, Vol.8 (3), p.933-940

BADAY, Sefer

2021

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Investigation of Drug Resistance Mechanisms for Antiandrogen Prostate Cancer Drug Enzalutamide using Molecular Dynamics Simulations

Biophysical journal, 2020-02, Vol.118 (3), p.194a-194a

2020

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Accelerating Molecular Docking using Machine Learning Methods

Molecular informatics, 2024-06, Vol.43 (6), p.e202300167-n/a

2024

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The iron(III) and nickel(II) complexes with tetradentate thiosemicarbazones. Synthesis, experimental, theoretical characterization, and antiviral effect against SARS-CoV-2

Journal of molecular structure, 2021-12, Vol.1246, p.131166-131166, Article 131166

2021

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Hierarchical Self-Assembly of Histidine-Functionalized Peptide Amphiphiles into Supramolecular Chiral Nanostructures

Langmuir, 2017-08, Vol.33 (32), p.7947-7956

2017

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Ammonium Transporters Achieve Charge Transfer by Fragmenting Their Substrate

Journal of the American Chemical Society, 2012-06, Vol.134 (25), p.10419-10427

2012

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Mechanism of NH4+ Recruitment and NH3 Transport in Rh Proteins

Structure (London), 2015-08, Vol.23 (8), p.1550-1557

2015

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Phylogenetic, structural, and functional characterization of AMT3;1, an ammonium transporter induced by mycorrhization among model grasses

Mycorrhiza, 2017-10, Vol.27 (7), p.695-708

2017

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Supramolecular Peptide Nanofiber Morphology Affects Mechanotransduction of Stem Cells

Biomacromolecules, 2017-10, Vol.18 (10), p.3114-3130

2017

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Different Hydration Patterns in the Pores of AmtB and RhCG Could Determine Their Transport Mechanisms

Biochemistry (Easton), 2013-10, Vol.52 (40), p.7091-7098

2013

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Mechanism of NH 4 + Recruitment and NH 3 Transport in Rh Proteins

Structure (London), 2015-08, Vol.23 (8), p.1550-1557

2015

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Depolymerization of actin filaments by Cucurbitacin I through binding G‐actin

Food science & nutrition, 2024-02, Vol.12 (2), p.881-889

2024

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Two Distinct Transport Mechanisms in AmtB and RhCG Proteins

Biophysical journal, 2013-01, Vol.104 (2), p.285a-285a

2013

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Docking scores

Baday, Sefer

2024

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Business Analytics for Professionals

1, 2022

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Computational Investigation of Charge Transfer Mechanisms in Ammonium Transporters

Biophysical journal, 2013-01, Vol.104 (2), p.285a-285a

2013

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Investigating Co-Transport Mechanisms in the AmtB Ammonium Transporter using QM/MM Molecular Dynamics

Biophysical journal, 2011-02, Vol.100 (3), p.578a-579a

2011

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Investigating Ammonium Transport Mechanisms in AmtB and RhCG by Molecular Dynamics Simulations

Biophysical journal, 2011-02, Vol.100 (3), p.579a-579a

2011

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Optimization of CHARMM force field parameters for ryanodine receptor inhibitory drug dantrolene using FFTK and FFParam

Catch-bond mechanism of the bacterial adhesin FimH

Trisubstituted-Imidazoles Induce Apoptosis in Human Breast Cancer Cells by Targeting the Oncogenic PI3K/Akt/mTOR Signaling Pathway

A PDI-catalyzed thiol–disulfide switch regulates the production of hydrogen peroxide by human Ero1

Optimization of CHARMM force field parameters of a prostate cancer drug enzalutamide

Functional asymmetry within the Sec61p translocon

Synthesis, Computational Studies, and Anti-Tuberculosis Activity of Benzoxazines That Act as RAGE Inhibitors

Drug Repurposing Against SARS-CoV-2: Targeting NSP16-NSP10 Interaction

Investigation of Drug Resistance Mechanisms for Antiandrogen Prostate Cancer Drug Enzalutamide using Molecular Dynamics Simulations

Accelerating Molecular Docking using Machine Learning Methods

The iron(III) and nickel(II) complexes with tetradentate thiosemicarbazones. Synthesis, experimental, theoretical characterization, and antiviral effect against SARS-CoV-2

Hierarchical Self-Assembly of Histidine-Functionalized Peptide Amphiphiles into Supramolecular Chiral Nanostructures

Ammonium Transporters Achieve Charge Transfer by Fragmenting Their Substrate

Mechanism of NH4+ Recruitment and NH3 Transport in Rh Proteins

Phylogenetic, structural, and functional characterization of AMT3;1, an ammonium transporter induced by mycorrhization among model grasses

Supramolecular Peptide Nanofiber Morphology Affects Mechanotransduction of Stem Cells

Different Hydration Patterns in the Pores of AmtB and RhCG Could Determine Their Transport Mechanisms

Mechanism of NH 4 + Recruitment and NH 3 Transport in Rh Proteins

Depolymerization of actin filaments by Cucurbitacin I through binding G‐actin

Two Distinct Transport Mechanisms in AmtB and RhCG Proteins

Docking scores

Business Analytics for Professionals

Computational Investigation of Charge Transfer Mechanisms in Ammonium Transporters

Investigating Co-Transport Mechanisms in the AmtB Ammonium Transporter using QM/MM Molecular Dynamics

Investigating Ammonium Transport Mechanisms in AmtB and RhCG by Molecular Dynamics Simulations

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