Associated Papers
A Thermodynamic Cycle to Predict the Competitive Inhibition Outcomes of an Evolving Enzyme.
Cetin E et al.
Journal of Chemical Theory and Computation, 2025
A thermodynamic cycle to predict the competitive inhibition outcomes of an evolving enzyme.
Cetin E et al.
Biorxiv : the Preprint Server for Biology, 2025
Deep mutational scanning of Pneumocystis jirovecii dihydrofolate reductase reveals allosteric mechanism of resistance to an antifolate.
Rouleau FD et al.
Plos Genetics, 2024
38683847 (PubMed )
Supplement: pgen.1011252.s019.xlsx › Curration_file
DHFR Mutants Modulate Their Synchronized Dynamics with the Substrate by Shifting Hydrogen Bond Occupancies.
Cetin E et al.
Journal of Chemical Information and Modeling, 2022
Mechanistic insights into global suppressors of protein folding defects.
Chattopadhyay G et al.
Plos Genetics, 2022
36037221 (PubMed )
Supplement: pgen.1010334.s024.docx
Computational protein design repurposed to explore enzyme vitality and help predict antibiotic resistance.
Michael E et al.
Frontiers in Molecular Biosciences, 2022
The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Chitnumsub P et al.
The Febs Journal, 2020
Increased substrate affinity in the Escherichia coli L28R dihydrofolate reductase mutant causes trimethoprim resistance.
Abdizadeh H et al.
Physical Chemistry Chemical Physics : Pccp, 2017
Increasing methotrexate resistance by combination of active-site mutations in human dihydrofolate reductase.
Volpato JP et al.
Journal of Molecular Biology, 2007
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