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Umbrella Sampling Simulations of Cardiac Thin Filament Reveal Thermodynamic Consequences of Troponin I Inhibitory Peptide Mutations.
J Chem Inf Model. 2023 Jun 12;63(11):3534-3543. doi: 10.1021/acs.jcim.3c00388. Epub 2023 Jun 1.
J Chem Inf Model. 2023.
PMID: 37261389
Computational Methods Elucidate Consequences of Mutations and Post-translational Modifications on Troponin I Effective Concentration to Troponin C.
Cool AM, Lindert S.
Cool AM, et al.
J Phys Chem B. 2021 Jul 15;125(27):7388-7396. doi: 10.1021/acs.jpcb.1c03844. Epub 2021 Jul 2.
J Phys Chem B. 2021.
PMID: 34213339
Free PMC article.
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Umbrella Sampling Simulations Measure Switch Peptide Binding and Hydrophobic Patch Opening Free Energies in Cardiac Troponin.
Cool AM, Lindert S.
Cool AM, et al.
J Chem Inf Model. 2022 Nov 28;62(22):5666-5674. doi: 10.1021/acs.jcim.2c00508. Epub 2022 Oct 25.
J Chem Inf Model. 2022.
PMID: 36283742
Free PMC article.
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Serendipitous Discovery of a Competitive Inhibitor of FraB, a Salmonella Deglycase and Drug Target.
Thirugnanasambantham P, Kovvali S, Cool A, Gao Y, Sabag-Daigle A, Boulanger EF, Mitton-Fry M, Capua AD, Behrman EJ, Wysocki VH, Lindert S, Ahmer BMM, Gopalan V.
Thirugnanasambantham P, et al.
Pathogens. 2022 Sep 26;11(10):1102. doi: 10.3390/pathogens11101102.
Pathogens. 2022.
PMID: 36297159
Free PMC article.
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Insights into the catalytic mechanism of a bacterial deglycase essential for utilization of fructose-lysine.
Kovvali S, Gao Y, Cool A, Lindert S, Wysocki VH, Bell CE, Gopalan V.
Kovvali S, et al.
Protein Sci. 2023 Jul;32(7):e4695. doi: 10.1002/pro.4695.
Protein Sci. 2023.
PMID: 37289023
Free PMC article.
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Mechanisms of Pathogenicity of Hypertrophic Cardiomyopathy-Associated Troponin T (TNNT2) Variant R278C+/- During Development.
Shafaattalab S, Li AY, Jayousi F, Maaref Y, Dababneh S, Hamledari H, Baygi DH, Barszczewski T, Ruprai B, Jannati S, Nagalingam R, Cool AM, Langa P, Chiao M, Roston T, Solaro RJ, Sanatani S, Toepfer C, Lindert S, Lange P, Tibbits GF.
Shafaattalab S, et al. Among authors: cool am.
bioRxiv [Preprint]. 2023 Aug 13:2023.06.06.542948. doi: 10.1101/2023.06.06.542948.
bioRxiv. 2023.
PMID: 37609317
Free PMC article.
Preprint.
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