George M. Giambasu

Postdoctoral Scholar, Rutgers University



About Me

George Giambasu is a computational chemist whose goal is to use and develop cutting edge molecular simulation techniques to build predictive models of how ion atmosphere forms around RNA and how it controls its dynamics and biologic function.

Education & Research

Rutgers University

2010 - 2016

Postdoctoral Scholar

Molecular Biophysics

Advisors: David A. Case & Darrin M. York

Analyzed and refined dynamic ensembles using novel tests for molecular dynamics simulations and NMR. Developed and tested new molecular models for describing solvation and thermodynamics of nucleic acids.

University of Minnesota, Twin Cities

2005 - 2010

Doctor of Philosophy (Ph.D.)

Computational Chemistry

Advisor: Darrin M. York

Applied and developed multiscale computational methodologies for studying biomolecular catalysis. Maapped for the first time the activation mechanism of a catalytic RNA swicth considered to be significant for the origins of life.

Romanian Academy of Science

2003 - 2005

Research Assistant

Bioinformatics & Structural Biochemistry

Advisor: Andrei J. Petrescu, Institute of Biochemistry

Initiated the use of molecular docking algorithms in the field of glycobiology.

University of Bucharest

2003 - 2005

Master of Science (M.S.)

Physical Organic Chemistry & Drug Design

Advisor: Mihaela Hillebrand

Evaluated the affinity of coumarin derivatives and serum albumin using molecular simulation.

University of Bucharest

1999 - 2003

Bachelor of Science (B.S.)

Chemistry (Summa Cum Laudae)

Advisor: Mihaela Hillebrand


Publications

An Active Site Rearrangement within the Tetrahymena Group I Ribozyme Releases Nonproductive Interactions and Allows Formation of Catalytic Interactions

Sengupta RN, Van Schie SN, Giambasu GM, Dai Q, Yesselman JD, York DM, Piccirilli JA, Herschlag D
RNA 2016 Jan;22(1):32-48. [LINK]


Cation-Anion Interactions within the Nucleic Acid Ion Atmosphere Revealed by Ion Counting Studies

Gebala M, Giambasu GM, Lipfert J, Bisaria N, Bonilla S, Li G, York DM, Herschlag D
J. Am. Chem. Soc. 2015 Nov 25;137(46):14705-15. [LINK]


Modulating RNA Alignment Using Directional Dynamic Kinks: Application in Determining an Atomic-Resolution Ensemble for a Hairpin using NMR Residual Dipolar Couplings

Salmon L, Giambasu GM, Nikolova EN, Petzold K, Bhattacharya A, Case DA, Al-Hashimi HM
J. Am. Chem. Soc. 2015 Oct 14;137(40):12954-65. [LINK]


Competitive interaction of monovalent cations with DNA from 3D-RISM

Giambasu GM, Gebala MK, Panteva MT, Luchko T, Case DA, York DM
Nucleic Acids Res. 2015 Sep 30;43(17):8405-15. [LINK]


Structural fidelity and NMR relaxation analysis in a prototype RNA hairpin

Giambasu GM, York DM, Case DA
RNA 2015 May;21(5):963-74. [LINK]


Comparison of structural, thermodynamic, kinetic and mass transport properties of Mg(2+) ion models commonly used in biomolecular simulations

Panteva MT, Giambasu GM, York DM
J Comput Chem 2015 2015 May;36(13):970-82. [LINK]


Multiscale methods for computational RNA enzymology

Panteva MT, Dissanayake T, Chen H, Radak BK, Kuechler ER, Giambasu GM, Lee TS, York DM
Methods Enzymol 2015;553:335-74. [LINK]


Evidence for the role of active site residues in the hairpin ribozyme from molecular simulations along the reaction path

Heldenbrand H, Janowski PA, Giambasu GM, Giese TJ, Wedekind JE, York DM
J Am Chem Soc 2014 Jun;136(22):7789-92. [LINK]


Ion counting from explicit-solvent simulations and 3D-RISM

Giambasu GM, Luchko T, Herschlag D, York DM, Case DA
Biophys J 2014 Feb;106(4):883-94. [LINK]


Bridging the gap between theory and experiment to derive a detailed understanding of hammerhead ribozyme catalysis

Lee TS, Wong KY, Giambasu GM, York DM
Prog Mol Biol Transl Sci 2013;120:25-91 [LINK]


A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields

Giese TJ, Chen H, Dissanayake T, Giambasu GM, Heldenbrand H, Huang M, Kuechler ER, Lee TS, Panteva MT, Radak BK, York DM
J Chem Theory Comput 2013 Mar;9(3):1417-1427. [LINK]


Mapping L1 ligase ribozyme conformational switch

Giambasu GM, Lee TS, Scott WG, York DM
J Mol Biol 2012 Oct 12;423(1):106-22. [LINK]


Characterization of the Structure and Dynamics of the HDV Ribozyme at Different Stages Along the Reaction Path

Lee TS, Giambasu GM, Harris ME, York DM
J Phys Chem Lett 2011 Oct 20;2(20):2538-2543. [LINK]


Influence of C-5 substituted cytosine and related nucleoside analogs on the formation of benzo[a]pyrene diol epoxide-dG adducts at CG base pairs of DNA

Guza R, Kotandeniya D, Murphy K, Dissanayake T, Lin C, Giambasu GM, Lad RR, Wojciechowski F, Amin S, Sturla SJ, Hudson RH, York DM, Jankowiak R, Jones R, Tretyakova NY
Nucleic Acids Res 2011 May;39(9):3988-4006. [LINK]


Identification of dynamical hinge points of the L1 ligase molecular switch

Giambasu GM, Lee TS, Sosa CP, Robertson MP, Scott WG, York DM
RNA 2010 Apr;16(4):769-80. [LINK]


Insights into the Role of Conformational Transitions and Metal Ion Binding in RNA Catalysis from Molecular Simulations

Lee TS, Giambasu GM, York DM
Annual Reports in Computational Chemistry 2010;6:168-200. [LINK]


Threshold occupancy and specific cation binding modes in the hammerhead ribozyme active site are required for active conformation

Lee TS, Giambasu GM, Sosa CP, Martick M, Scott WG, York DM
J Mol Biol 2009 Apr;388(1):195-206. [LINK]


Unraveling the Mechanisms of Ribozyme Catalysis with Multiscale Simulations

Lee TS, Giambasu GM, Moser A, Nam K, Silva-Lopez C, Guerra F, and Nieto-Faza O, Giese TJ, Gao J, York DM
Multi-scale Quantum Models for Biocatalysis 2009 Jan; 377-408. [LINK]


Role of Mg(2+) in hammerhead ribozyme catalysis from molecular simulation

Lee TS, Silva Lopez C, Giambasu GM, Martick M, Scott WG, York DM
J Am Chem Soc 2008 Mar 12;130(10):3053-64. [LINK]


Electronic Structure of Some Antiviral Compounds

Giambasu GM, Diaconu CC, Hillebrand M
Int Elec J Mol Design 2004;3(2):73-82.


Conformational Analysis of Glc-alpha-3Man Disaccharide

Giambasu GM, Petrescu AJ
Rom J Biochem 2004;41:25-33.