Abstract

The purpose of the 'Administrative Core' is as follows: (1) provide overall scientific and administrative management of the Program Project; (2) schedule, organize, and run the yearly meeting of the Program Project; (3) schedule travel for PIs/postdocs/students to go from one of the two performance sites to the other in order to conduct research; (4) organize the functions of the External Advisory Committee; and (5) develop, organize, and oversee the web site of the Program Project.

Public Health Relevance

Our studies are aimed at determining the elements of protein structure that create specific dynamics important for catalytic mechanism. We will understand design features that either up or down regulate enzymatic activity. The goal of this research is to lay a foundation for the development and rational design of 'allosteric' effectors or active site inhibitors based on dynamics.

  Funding Agency

Agency
National Institute of Health (NIH)
Institute
National Institute of General Medical Sciences (NIGMS)
Type
Research Program Projects (P01)
Project #
5P01GM068036-16
Application #
9478226
Study Section
Special Emphasis Panel (ZRG1)
Project Start
Project End
Budget Start
2018-05-01
Budget End
2019-04-30
Support Year
16
Fiscal Year
2018
Total Cost
Indirect Cost

  Institution

Name
Albert Einstein College of Medicine, Inc
Department
Type
DUNS #
079783367
City
Bronx
State
NY
Country
United States
Zip Code
10461

  Publications

Brás, Natércia F; Fernandes, Pedro A; Ramos, Maria J et al. (2018) Mechanistic Insights on Human Phosphoglucomutase Revealed by Transition Path Sampling and Molecular Dynamics Calculations. Chemistry 24:1978-1987
Andrews, Brooke A; Dyer, R Brian (2018) Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase. Medchemcomm 9:1369-1376
Schramm, Vern L; Schwartz, Steven D (2018) Promoting Vibrations and the Function of Enzymes. Emerging Theoretical and Experimental Convergence. Biochemistry 57:3299-3308
Vaughn, Morgan B; Zhang, Jianyu; Spiro, Thomas G et al. (2018) Activity-Related Microsecond Dynamics Revealed by Temperature-Jump Förster Resonance Energy Transfer Measurements on Thermophilic Alcohol Dehydrogenase. J Am Chem Soc 140:900-903
Khrapunov, Sergei (2018) The Enthalpy-entropy Compensation Phenomenon. Limitations for the Use of Some Basic Thermodynamic Equations. Curr Protein Pept Sci 19:1088-1091
Peng, Huo-Lei; Callender, Robert (2018) Mechanism for Fluorescence Quenching of Tryptophan by Oxamate and Pyruvate: Conjugation and Solvation-Induced Photoinduced Electron Transfer. J Phys Chem B 122:6483-6490
Harijan, Rajesh K; Zoi, Ioanna; Antoniou, Dimitri et al. (2018) Inverse enzyme isotope effects in human purine nucleoside phosphorylase with heavy asparagine labels. Proc Natl Acad Sci U S A 115:E6209-E6216
Luft, Charles M; Munusamy, Elango; Pemberton, Jeanne E et al. (2018) Molecular Dynamics Simulation of the Oil Sequestration Properties of a Nonionic Rhamnolipid. J Phys Chem B 122:3944-3952
Chen, Xi; Schwartz, Steven D (2018) Directed Evolution as a Probe of Rate Promoting Vibrations Introduced via Mutational Change. Biochemistry 57:3289-3298
Kozlowski, Rachel; Ragupathi, Ashwin; Dyer, R Brian (2018) Characterizing the Surface Coverage of Protein-Gold Nanoparticle Bioconjugates. Bioconjug Chem 29:2691-2700

Showing the most recent 10 out of 114 publications