All Publications

Structural fidelity and NMR relaxation analysis in a prototype RNA hairpin

George M. Giambasu, Darrin M. York, David A. Case
RNA. 2015 Mar 24

DOI: 

10.1261/rna.047357.114

Comparison of structural, thermodynamic, kinetic and mass transport properties of Mg2+ ion models commonly used in biomolecular simulations

Maria Panteva, George M. Giambasu, Darrin M. York
J Comput Chem. 2015 Mar 4. doi: 10.1002/jcc.23881.

DOI: 

10.1002/jcc.23881

From static to dynamic: the need for structural ensembles and a predictive model of RNA folding and function

Dan Herschlag, Benjamin E Allred, Seshadri Gowrishankar
Curr Opin Struct Biol. 2015 Mar 2;30:125-133. doi: 10.1016/j.sbi.2015.02.006

DOI: 

10.1016/j.sbi.2015.02.006

Multiscale methods for computational RNA enzymology

Maria Panteva, Thakshila Dissanayake, Haoyuan Chen, Brian K. Radak, Erich R. Kuechler, George M. Giambasu, Tai-Sung Lee, Darrin M. York
Methods Enzymol. 2015;553:335-74. doi: 10.1016/bs.mie.2014.10.064. Epub 2015 Jan 22.

DOI: 

10.1016/bs.mie.2014.10.064

Quantifying Nucleic Acid Ensembles with X-ray Interferometry

Xuesong Shi, Steve Bonilla, Daniel Herschlag and Pehr Harbury
Methods in Enzymology

Topological constraints are major determinants of tRNA tertiary structure and dynamics and provide basis for tertiary folding cooperativity

Anthony Mustoe, Charles L Brooks 3rd, Hashim Al Hashimi
Nucleic Acids Res. 2014 Sep 12. pii: gku807

DOI: 

10.1093/nar/gku807

Observation of correlated X-ray scattering at atomic resolution

Derek Mendez, Thomas J. Lane, Jongmin Sung, Jonas Sellberg, Clément Levard, Herschel Watkins, Aina E. Cohen, Michael Soltis, Shirley Sutton, James Spudich, Vijay Pande, Daniel Ratner, Sebastian Doniach
Philos Trans R Soc Lond B Biol Sci. 2014 Jul 17;369(1647):20130315

DOI: 

10.1098/rstb.2013.0315

An RNA tertiary switch by modifying how helices are tethered

Laura Ganser, Anthony Mustoe, Hashim Al Hashimi
Genome Biology 15:425

DOI: 

10.1186/s13059-014-0425-z

Structural dynamics of a single-stranded RNA-helix junction using NMR

Catherine D. Eichhorn, Hashim Al Hashimi
RNA. 2014 Jun;20(6):782-91

DOI: 

10.1261/rna.043711.113

Hierarchy of RNA Functional Dynamics

Anthony Mustoe, Charles L Brooks 3rd, Hashim Al Hashimi
Ann Rev Biochem Vol. 83: 441-466 2014

DOI: 

10.1146/annurev-biochem-060713-035524

Measuring similarity between dynamic ensembles of biomolecules

Shan Yang, Loic Salmon, Hashim Al Hashimi
Nat Methods. 2014 May;11(5):552-4.

DOI: 

10.1038/nmeth.2921

From a Structural Average to the Conformational Ensemble of a DNA Bulge

Xuesong Shi, Kyle A. Beauchamp, Pehr A. B. Harbury, Dan Herschlag
Proc Natl Acad Sci U S A. 2014 Apr 15;111(15):E1473-80

DOI: 

10.1073/pnas.1317032111

Bayesian energy landscape tilting: towards concordant models of molecular ensembles

Kyle A. Beauchamp, Vijay S. Pande, Rhiju Das
Biophys J. 2014 Mar 18;106(6):1381-90

DOI: 

10.1016/j.bpj.2014.02.009

Understanding nucleic acid-ion interactions

Jan Lipfert, Sebastian Doniach, Rhiju Das, Dan Herschlag
Annu Rev Biochem. 2014;83:813-41

DOI: 

10.1146/annurev-biochem-060409-092720

Ion counting from explicit solvent simulations and 3D-RISM

George M. Giambasu, Tyler Luchko, Dan Herschlag, Darrin M. York, David A. Case
Biophys J 2014 Feb 18;106(4):883-4

DOI: 

10.1016/j.bpj.2014.01.021

Coarse grained models reveal essential contributions of topological constraints to the conformational free energy of RNA bulges

Anthony Mustoe, Hashim Al Hashimi, Charles L Brooks 3rd
J Phys Chem B. 2014 Mar 13

DOI: 

10.1021/jp411478x

A Single-Stranded Junction Modulates Nanosecond Motional Ordering of the Substrate Recognition Duplex of a Group I Ribozyme

Phuong Nguyen, Xuesong Shi, Snorri Th. Sigurdsson, Dan Herschlag, Peter Z. Qin
Chembiochem. 2013 Sep 23;14(14):1720-3

DOI: 

10.1002/cbic.201300376

Structural ensemble and microscopic elasticity of freely diffusing DNA by direct measurement of fluctuations

Xuesong Shi, Dan Herschlag, Pehr A. B. Harbury
Proc Natl Acad Sci U S A. 2013 Apr 16;110(16):E1444-51

DOI: 

10.1073/pnas.1218830110