R01 GM127712/GM/NIGMS NIH HHS/United States[Grants and Funding] - Search Results

Year	Number of Results
2018	1
2019	4
2020	4
2021	1
2022	1
2023	1
2024	2

1

On the polarization of ligands by proteins.

Willow SY, Xie B, Lawrence J, Eisenberg RS, Minh DDL. Willow SY, et al. Phys Chem Chem Phys. 2020 Jun 4;22(21):12044-12057. doi: 10.1039/d0cp00376j. Phys Chem Chem Phys. 2020. PMID: 32421120 Free PMC article.

2

On Inactivation of the Coronavirus Main Protease.

Nguyen HH, Tufts J, Minh DDL. Nguyen HH, et al. J Chem Inf Model. 2024 Mar 11;64(5):1644-1656. doi: 10.1021/acs.jcim.3c01518. Epub 2024 Feb 29. J Chem Inf Model. 2024. PMID: 38423522

3

Learned mappings for targeted free energy perturbation between peptide conformations.

Willow SY, Kang L, Minh DDL. Willow SY, et al. J Chem Phys. 2023 Sep 28;159(12):124104. doi: 10.1063/5.0164662. J Chem Phys. 2023. PMID: 38127367 Free PMC article.

4

On Restraints in End-Point Protein-Ligand Binding Free Energy Calculations.

Menzer WM, Xie B, Minh DDL. Menzer WM, et al. J Comput Chem. 2020 Mar 5;41(6):573-586. doi: 10.1002/jcc.26119. Epub 2019 Dec 10. J Comput Chem. 2020. PMID: 31821590 Free PMC article.

5

Electrostatics and water occlusion regulate covalently-bound flavin mononucleotide cofactors of Vibrio cholerae respiratory complex NQR.

Willow SY, Yuan M, Juárez O, Minh DDL. Willow SY, et al. Proteins. 2021 Oct;89(10):1376-1385. doi: 10.1002/prot.26158. Epub 2021 Jun 14. Proteins. 2021. PMID: 34091964 Free PMC article.

6

Alchemical Grid Dock (AlGDock): Binding Free Energy Calculations between Flexible Ligands and Rigid Receptors.

Minh DDL. Minh DDL. J Comput Chem. 2020 Mar 15;41(7):715-730. doi: 10.1002/jcc.26036. Epub 2019 Aug 9. J Comput Chem. 2020. PMID: 31397498 Free PMC article.

7

Simple Entropy Terms for End-Point Binding Free Energy Calculations.

Menzer WM, Li C, Sun W, Xie B, Minh DDL. Menzer WM, et al. J Chem Theory Comput. 2018 Nov 13;14(11):6035-6049. doi: 10.1021/acs.jctc.8b00418. Epub 2018 Oct 19. J Chem Theory Comput. 2018. PMID: 30296084 Free PMC article.

8

Identification of the riboflavin cofactor-binding site in the Vibrio cholerae ion-pumping NQR complex: A novel structural motif in redox enzymes.

Tuz K, Yuan M, Hu Y, Do TTT, Willow SY, DePaolo-Boisvert JA, Fuller JR, Minh DDL, Juárez O. Tuz K, et al. J Biol Chem. 2022 Aug;298(8):102182. doi: 10.1016/j.jbc.2022.102182. Epub 2022 Jun 23. J Biol Chem. 2022. PMID: 35752362 Free PMC article.

9

Targeting Unique Ligand Binding Domain Structural Features Downregulates DKK1 in Y537S ESR1 Mutant Breast Cancer Cells.

Young KS, Hancock GR, Fink E, Zigrossi A, Flowers B, Cooper DA, Nguyen VT, Martinez M, Mon KS, Bosland M, Zak D, Runde A, Sharifi MN, Kastrati I, Minh DDL, Kregel S, Fanning SW. Young KS, et al. Res Sq [Preprint]. 2024 Jun 25:rs.3.rs-4542467. doi: 10.21203/rs.3.rs-4542467/v1. Res Sq. 2024. PMID: 38978585 Free PMC article. Preprint.

10

Conserved residue His-257 of Vibrio cholerae flavin transferase ApbE plays a critical role in substrate binding and catalysis.

Fang X, Osipiuk J, Chakravarthy S, Yuan M, Menzer WM, Nissen D, Liang P, Raba DA, Tuz K, Howard AJ, Joachimiak A, Minh DDL, Juarez O. Fang X, et al. J Biol Chem. 2019 Sep 13;294(37):13800-13810. doi: 10.1074/jbc.RA119.008261. Epub 2019 Jul 26. J Biol Chem. 2019. PMID: 31350338 Free PMC article.

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