Publications by authors named "Canan Atilgan"

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Multiply Perturbed Response to Disclose Allosteric Control of Conformational Change: Application to Fluorescent Biosensor Design.
Melike Berksoz, Ali Rana Atilgan, Burak Kocuk, Canan Atilgan

J Mol Biol· October 2025

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A Thermodynamic Cycle to Predict the Competitive Inhibition Outcomes of an Evolving Enzyme.
Ebru Cetin, Haleh Abdizadeh, Ali Rana Atilgan, Canan Atilgan

J Chem Theory Comput· May 2025

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A thermodynamic cycle to predict the competitive inhibition outcomes of an evolving enzyme.
Ebru Cetin, Haleh Abdizadeh, Ali Rana Atilgan, Canan Atilgan

bioRxiv· February 2025

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Ranking Single Fluorescent Protein-Based Calcium Biosensor Performance by Molecular Dynamics Simulations.
Melike Berksoz, Canan Atilgan

J Chem Inf Model· January 2025

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Allosteric modulation of fluorescence revealed by hydrogen bond dynamics in a genetically encoded maltose biosensor.
Melike Berksoz, Canan Atilgan

Proteins· August 2024

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Deciphering GB1's Single Mutational Landscape: Insights from MuMi Analysis.
Tandac F Guclu, Ali Rana Atilgan, Canan Atilgan

J Phys Chem B· August 2024

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Structural shifts in TolC facilitate Efflux-Mediated β-lactam resistance.
Isik Kantarcioglu, Ilona K Gaszek, Tandac F Guclu, M Sadik Yildiz, Ali Rana Atilgan, Canan Atilgan

Commun Biol· August 2024

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High throughput mutational scanning of a protein via alchemistry on a high-performance computing resource.
Tandac F Guclu, Busra Tayhan, Ebru Cetin, Ali Rana Atilgan, Canan Atilgan

bioRxiv· August 2024

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Kinetic Barrier to Enzyme Inhibition Is Manipulated by Dynamical Local Interactions in DHFR.
Ebru Cetin, Tandac F Guclu, Isik Kantarcioglu, Ilona K Gaszek, Erdal Toprak, Ali Rana Atilgan, Canan Atilgan

J Chem Inf Model· August 2023

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Nonlocal Effects of Antibiotic-Resistance-Causing Mutations Reveal an Alternative Region for Targeting on FtsW-Penicillin-Binding Protein 3 Complex of .
Almotasem Belah Alhamwi, Canan Atilgan, Ozge Sensoy

J Chem Inf Model· May 2023

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Conformational multiplicity of bacterial ferric binding protein revealed by small angle x-ray scattering and molecular dynamics calculations.
Goksin Liu, Erhan Ekmen, Farzaneh Jalalypour, Haydyn D T Mertens, Cy M Jeffries, Ali Rana Atilgan, Canan Atilgan

J Chem Phys· February 2023

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DHFR Mutants Modulate Their Synchronized Dynamics with the Substrate by Shifting Hydrogen Bond Occupancies.
Ebru Cetin, Ali Rana Atilgan, Canan Atilgan

J Chem Inf Model· December 2022

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Inhibition of mutant RAS-RAF interaction by mimicking structural and dynamic properties of phosphorylated RAS.
Metehan Ilter, Ramazan Kasmer, Farzaneh Jalalypour, Canan Atilgan, Ozan Topcu

Elife· December 2022

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Sibling rivalry among the ZBTB transcription factor family: homodimers versus heterodimers.
Sofia Piepoli, Sarah Barakat, Liyne Nogay, Büşra Şimşek, Umit Akkose, Canan Atilgan

Life Sci Alliance· November 2022

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Investigation of iron release from the N- and C-lobes of human serum transferrin by quantum chemical calculations.
Basak Koca Fındık, Umut Cilesiz, Semiha Kevser Bali, Canan Atilgan, Viktorya Aviyente

Org Biomol Chem· November 2022

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Computational strategies for protein conformational ensemble detection.
Ali Rana Atilgan, Canan Atilgan

Curr Opin Struct Biol· February 2022

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A trimethoprim derivative impedes antibiotic resistance evolution.
Madhu Sudan Manna, Yusuf Talha Tamer, Ilona Gaszek, Nicole Poulides, Ayesha Ahmed, Ali Rana Atilgan, Canan Atilgan

Nat Commun· May 2021

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Dynamic Community Composition Unravels Allosteric Communication in PDZ3.
Tandac F Guclu, Ali Rana Atilgan, Canan Atilgan

J Phys Chem B· March 2021

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N-Terminus of the Third PDZ Domain of PSD-95 Orchestrates Allosteric Communication for Selective Ligand Binding.
Tandac F Guclu, Nazli Kocatug, Ali Rana Atilgan, Canan Atilgan

J Chem Inf Model· January 2021

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A Coarse-Grained Methodology Identifies Intrinsic Mechanisms That Dissociate Interacting Protein Pairs.
Haleh Abdizadeh, Farzaneh Jalalypour, Ali Rana Atilgan, Canan Atilgan

Front Mol Biosci· August 2020

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Perturb-Scan-Pull: A Novel Method Facilitating Conformational Transitions in Proteins.
Farzaneh Jalalypour, Ozge Sensoy, Canan Atilgan

J Chem Theory Comput· June 2020

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Structural analysis of the PATZ1 BTB domain homodimer.
Sofia Piepoli, Aaron Oliver Alt, Canan Atilgan, Erika Jazmin Mancini, Batu Erman

Acta Crystallogr D Struct Biol· June 2020

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High-Order Epistasis in Catalytic Power of Dihydrofolate Reductase Gives Rise to a Rugged Fitness Landscape in the Presence of Trimethoprim Selection.
Yusuf Talha Tamer, Ilona K Gaszek, Haleh Abdizadeh, Tugce Altinusak Batur, Kimberly A Reynolds, Ali Rana Atilgan, Canan Atilgan

Mol Biol Evol· July 2019

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Tuning Interaction Parameters of Thermoplastic Polyurethanes in a Binary Solvent To Achieve Precise Control over Microphase Separation.
Senem Avaz Seven, Oguzhan Oguz, Yusuf Ziya Menceloglu, Canan Atilgan

J Chem Inf Model· May 2019

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Employment of Iron-Binding Protein from Haemophilus influenzae in Functional Nanopipettes for Iron Monitoring.
Gonca Bulbul, Goksin Liu, Namrata Rao Vithalapur, Canan Atilgan, Zehra Sayers

ACS Chem Neurosci· April 2019

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