Susan K. Gregurick

Susan K. Gregurick's AcademicInfluence.com Rankings

Susan K. Gregurick

Chemistry

#5610

World Rank

#6815

Historical Rank

#1021

USA Rank

Computational Chemistry

#73

World Rank

#73

Historical Rank

USA Rank

Chemical Engineering

#841

World Rank

#864

Historical Rank

#138

USA Rank

chemistry Degrees

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Chemistry

Susan K. Gregurick's Degrees

PhD Chemistry University of California, Berkeley
Masters Chemical Engineering Stanford University
Bachelors Chemical Engineering Stanford University

Why Is Susan K. Gregurick Influential?

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According to Wikipedia, Susan Kathryn Gregurick is an American computational chemist. She is the associate director for data science at the National Institutes of Health . Gregurick is the director of the NIH Office of Data Science Strategy.

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Susan K. Gregurick's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Terahertz spectroscopy of solid serine and cysteine (2006) (182)
'Omics Data Sharing (2009) (148)
Global geometry optimization of (Ar)n and B(Ar)n clusters using a modified genetic algorithm (1996) (107)
High-resolution terahertz spectroscopy of crystalline trialanine: extreme sensitivity to beta-sheet structure and cocrystallized water. (2006) (94)
Ab initio and improved empirical potentials for the calculation of the anharmonic vibrational states and intramolecular mode coupling of N-methylacetamide (2001) (75)
Terahertz spectroscopy of bacteriorhodopsin and rhodopsin: similarities and differences. (2008) (68)
Potential energy surfaces for the interaction of BH(X 1Σ+,A 1Π) with Ar and a theoretical investigation of the stretch‐bend levels of the ArBH(A) van der Waals molecule (1994) (57)
Potential energy surfaces for the interaction of CH(X 2Π,B 2Σ−) with Ar and an assignment of the stretch‐bend levels of the ArCH(B) van der Waals molecule (1994) (50)
Calculation of anharmonic vibrational spectroscopy of small biological molecules (2002) (36)
Vibrational Spectroscopy of Peptides and Peptide−Water Complexes: Anharmonic Coupled-Mode Calculations (1997) (33)
Terahertz spectra and normal mode analysis of the crystalline VA class dipeptide nanotubes. (2008) (31)
ANHARMONIC VIBRATIONAL SELF-CONSISTENT FIELD CALCULATIONS AS AN APPROACH TO IMPROVING FORCE FIELDS FOR MONOSACCHARIDES (1999) (28)
Theoretical study of the interaction of AlH(X 1Σ+,A 1Π) with Ar: Potential energy surfaces and bend–stretch levels of the ArAlH(X,A) van der Waals complex (1995) (24)
Entropic nature of the interaction between promoter bound CRP mutants and RNA polymerase. (2003) (22)
Quantum Monte Carlo studies of small B(H2)n clusters (1994) (21)
Meeting Report: BioSharing at ISMB 2010 (2010) (20)
Interaction of GroEL and GroEL/GroES complexes with a nonnative subtilisin variant: a small-angle neutron scattering study. (2003) (14)
Computation of the Electronic and Spectroscopic Properties of Carbohydrates Using Novel Density Functional and Vibrational Self-Consistent Field Methods (1999) (12)
Experimental and computational studies of the desensitization process in the bovine rhodopsin-arrestin complex. (2004) (10)
Quantum scattering studies of vibrational excitation in collisions of NO(X 2Π) with a Ag(111) surface (1994) (9)
A dynamics study of the A-chain of ricin by terahertz vibrational calculation and normal modes analysis. (2009) (9)
THz investigations of condensed phase biomolecular systems. (2008) (7)
Additivity of Absolute Entropies (2004) (6)
Arrestin residues involved in the functional binding of arrestin to phosphorylated, photolyzed rhodopsin. (2006) (4)
The Absolute Entropies of Alkali Metal Borides. Simple Patterns and High-Level Calculations (2007) (2)
Small Angle Neutron Scattering from Proteins, Nucleic Acids, and Viruses (2006) (2)
CW THZ SPECTROSCOPY OF SMALL PEPTIDES (2005) (1)
Terahertz Dielectric Response Sensitivity to Protein Oxidation State (2007) (1)
Systems Biology Knowledgebase for a New Era in Biology A Genomics:GTL Report from the May 2008 Workshop (2009) (1)
Theretical model of bovine rhodopsin carboxyl tail mutant (residues 329-348) binding to bovine rod arrestin. (2005) (0)
Saturation of the Hydration Dependence of the Terahertz Dielectric Response of Ferri Cytochrome C (2007) (0)
On the Cover: Argonne National Laboratory's Ibm Blue Gene/p Supercomputer Inset Visualization of Alg13 Courtesy of Authors and Contributors Sponsors and Representatives Workshop Co-organizers Workshop Session Leads Macromolecular Proteins and Protein Complexes Tissues, Organs, and Physiology Modelin (2010) (0)
Human Cone Arrestin. Residues 1-356. Generated by homology modelling. (2004) (0)
Tertiary structural effects on protein picosecond dynamics: terahertz dielectric response (2007) (0)
JGI Computing 5-Year Strategic Plan (2008) (0)
A Review of: “Molecular Modelling for Beginners” (2005) (0)
AB Initio Protein Tertiary Structure Prediction: Comparative-Genetic Algorithm with Graph Theoretical Methods (2001) (0)
Information and Data Sharing Policy, Genomic Science Program, DOE (2011) (0)
VIBRATIONAL SELF-CONSISTENT FIELD CALCULATION AND TERAHERTZ SPECTRA OF VAL-ALA CLASS DIPEPTIDE NANOTUBES AND P-AAA IN CRYSTALLINE FORM (2008) (0)
Health Data and the Open Science Movement (2019) (0)
Theoretical Model of Human Cone Arrestin: the Complete Structure.(res 1-388) (2005) (0)
Aligning Funder Policy with Support from Societies: Case Study with NIH and FASEB (2021) (0)
New Elements Responsible for Regulating the Selectivity of Arrestin for Phosphorylated Photoactivated Rhodopsin (2005) (0)

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Other Resources About Susan K. Gregurick

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What Schools Are Affiliated With Susan K. Gregurick?

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Susan K. Gregurick's Academic­Influence.com Rankings

Susan K. Gregurick's Degrees

Why Is Susan K. Gregurick Influential?

Susan K. Gregurick's Published Works

Published Works

Other Resources About Susan K. Gregurick

What Schools Are Affiliated With Susan K. Gregurick?

Susan K. Gregurick's AcademicInfluence.com Rankings