Rutgers Main | CIRC | Quantitative Biology   

George M. Giambasu

University of Bucharest, Romania - BSc, MSc
University of Minnesota-Twin Cities - Ph.D.
giambasu [at]
About Me: 

My goal is to use cutting edge molecular simulation tecniques to build predictive models of how ion atmosphere forms around RNA and how it controls its dynamics and function.

Giambasu Publications

An active site rearrangement within the Tetrahymena group I ribozyme releases nonproductive interactions and allows formation of catalytic interactions.
Structural fidelity and NMR relaxation analysis in a prototype RNA hairpin
Multiscale methods for computational RNA enzymology
Competitive interaction of monovalent cations with DNA from 3D-RISM
Force Field for Mg2+, Mn2+, Zn2+, and Cd2+ Ions That Have Balanced Interactions with Nucleic Acids
Cation–Anion Interactions within the Nucleic Acid Ion Atmosphere Revealed by Ion Counting
Comparison of structural, thermodynamic, kinetic and mass transport properties of Mg2+ models commonly used in biomolecular simulations
Ion counting from explicit solvent simulations and 3D-RISM
Evidence for the role of active site residues in the hairpin ribozyme from molecular simulations along the reaction path
Bridging the Gap Between Theory and Experiment to Derive a Detailed Understanding of Hammerhead Ribozyme Catalysis
A Variational Linear-Scaling Framework to Build Practical, Efficient Next-Generation Orbital-Based Quantum Force Fields
Mapping l1 ligase ribozyme conformational switch
Characterization of the structure and dynamics of the HDV ribozyme in different stages along the reaction path
Influence of C-5 substituted cytosine and related nucleoside analogs on the formation of benzo[a]pyrene diol epoxide-dG adducts
Insights into the Role of Conformational Transitionsand Metal Ion Binding in RNA Catalysis from Molecular Simulations
Identification of dynamical hinge points of the L1 ligase molecular switch
Threshold occupancy and specific cation binding modes in the hammerhead ribozyme active site are required for active conformation
Unraveling the mechanisms of ribozyme catalysis with multi-scale simulations
Role of Mg2+ in hammerhead ribozyme catalysis from molecular simulation