George M. Giambasu

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Taisung LeeRutgers UniversityVerified email at rutgers.edu
David A CaseRutgers UniversityVerified email at biomaps.rutgers.edu
Tyler LuchkoCalifornia State University, NorthridgeVerified email at csun.edu
Daniel HerschlagStanford UniversityVerified email at stanford.edu
William G. ScottProfessor of Chemistry and Biochemistry, University of CaliforniaVerified email at ucsc.edu
Natalia TretyakovaProfessor of Medicinal Chemistry, University of MinnesotaVerified email at umn.edu
Shana J. SturlaProfessor of Toxicology, ETH ZurichVerified email at ethz.ch
Joseph WedekindUniversity of Rochester School of Medicine and DentistryVerified email at rochester.edu
Jan LipfertDepartment of Physics, Utrecht University, The NetherlandsVerified email at lmu.de
Michael E HarrisProfessor of Chemistry, University of FloridaVerified email at chem.ufl.edu
Hashim M Al-HashimiColumbia UniversityVerified email at cumc.columbia.edu
Katja PetzoldProfessor @ Uppsala University, Uppsala, SwedenVerified email at imbim.uu.se
Jiali GaoShenzhen Bay Laboratory and University of MinnesotaVerified email at jialigao.org

George M. Giambasu

Senior Scientist at Merck

Verified email at merck.com - Homepage

Theoretical Chemistry Medicinal Chemistry Structural Biochemistry Density Functional Theory


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Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023	5961	2023
Role of Mg²⁺ in Hammerhead Ribozyme Catalysis from Molecular Simulation TS Lee, CS López, GM Giambaşu, M Martick, WG Scott, DM York Journal of the American Chemical Society 130 (10), 3053-3064, 2008	139	2008
Force Field for Mg²⁺, Mn²⁺, Zn²⁺, and Cd²⁺ Ions That Have Balanced Interactions with Nucleic Acids MT Panteva, GM Giambasu, DM York The Journal of Physical Chemistry B 119 (50), 15460-15470, 2015	127	2015
Ion counting from explicit-solvent simulations and 3D-RISM GM Giambaşu, T Luchko, D Herschlag, DM York, DA Case Biophysical journal 106 (4), 883-894, 2014	116	2014
Amber 2020: University of california DA Case, K Belfon, I Ben-Shalom, S Brozell, D Cerutti, T Cheatham, ... San Francisco, 2020	111	2020
Comparison of structural, thermodynamic, kinetic and mass transport properties of Mg2+ ion models commonly used in biomolecular simulations MT Panteva, GM Giambaşu, DM York Journal of computational chemistry 36 (13), 970-982, 2015	98	2015
Cation–anion interactions within the nucleic acid ion atmosphere revealed by ion counting M Gebala, GM Giambaşu, J Lipfert, N Bisaria, S Bonilla, G Li, DM York, ... Journal of the American Chemical Society 137 (46), 14705-14715, 2015	78	2015
A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields TJ Giese, H Chen, T Dissanayake, GM Giambasu, H Heldenbrand, ... Journal of chemical theory and computation 9 (3), 1417-1427, 2013	68	2013
Predicting site-binding modes of ions and water to nucleic acids using molecular solvation theory GM Giambasu, DA Case, DM York Journal of the American Chemical Society 141 (6), 2435-2445, 2019	58	2019
Threshold occupancy and specific cation binding modes in the hammerhead ribozyme active site are required for active conformation TS Lee, GM Giambaşu, CP Sosa, M Martick, WG Scott, DM York Journal of molecular biology 388 (1), 195-206, 2009	55	2009
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 R Guza, D Kotandeniya, K Murphy, T Dissanayake, C Lin, GM Giambasu, ... Nucleic acids research 39 (9), 3988-4006, 2011	54	2011
Competitive interaction of monovalent cations with DNA from 3D-RISM GM Giambaşu, MK Gebala, MT Panteva, T Luchko, DA Case, DM York Nucleic acids research 43 (17), 8405-8415, 2015	48	2015
Evidence for the role of active site residues in the hairpin ribozyme from molecular simulations along the reaction path H Heldenbrand, PA Janowski, G Giambaşu, TJ Giese, JE Wedekind, ... Journal of the American Chemical Society 136 (22), 7789-7792, 2014	40	2014
Amber 2020, 2020 DA Case, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, T Cheatham, ... San Francisco: University of California.[Academic Search], 2019	39	2019
Modulating RNA alignment using directional dynamic kinks: application in determining an atomic-resolution ensemble for a hairpin using NMR residual dipolar couplings L Salmon, GM Giambasu, EN Nikolova, K Petzold, A Bhattacharya, ... Journal of the American Chemical Society 137 (40), 12954-12965, 2015	39	2015
Characterization of the structure and dynamics of the HDV ribozyme in different stages along the reaction path TS Lee, GM Giambasu, ME Harris, DM York The journal of physical chemistry letters 2 (20), 2538-2543, 2011	39	2011
Structural fidelity and NMR relaxation analysis in a prototype RNA hairpin GM Giambaşu, DM York, DA Case Rna 21 (5), 963-974, 2015	31	2015
Multiscale methods for computational RNA enzymology MT Panteva, T Dissanayake, H Chen, BK Radak, ER Kuechler, ... Methods in enzymology 553, 335-374, 2015	28	2015
AMBER 2020 TA Darden, RE Duke, G Giambasu, MK Gilson, H Gohlke, AW Goetz, ... University of California: San Francisco, 2020	21	2020
Bridging the gap between theory and experiment to derive a detailed understanding of hammerhead ribozyme catalysis TS Lee, KY Wong, GM Giambasu, DM York Progress in molecular biology and translational science 120, 25-91, 2013	12	2013

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