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Chemistry

D-Index
71
Citations
24270
World Ranking
5436
National Ranking
1681

Research.com Recognitions

  • 2018 - Fellow of the American Chemical Society
  • 2017 - Fellow of the Indian National Academy of Engineering (INAE)

Overview

Teresa Head-Gordon is affiliated with the University of California, Berkeley in the United States. Their research spans multiple disciplines, primarily focusing on physics, chemistry, and molecular biology. Within these broad fields, their work includes areas such as atomic and molecular physics, optics, molecular biology, materials chemistry, spectroscopy, and computational theory and mathematics.

The scientist has contributed extensively to topics including protein structure and dynamics, spectroscopy and quantum chemical studies, advanced chemical physics studies, machine learning in materials science, computational drug discovery methods, enzyme structure and function, and electrochemical analysis and applications.

Teresa Head-Gordon's publication record includes multiple recent papers such as:

  • "Can electric fields drive chemistry for an aqueous microdroplet?", 2022, Nature Communications
  • "Conformational Ensembles of an Intrinsically Disordered Protein Consistent with NMR, SAXS, and Single-Molecule FRET", 2020, Journal of the American Chemical Society
  • "PED in 2021: a major update of the protein ensemble database for intrinsically disordered proteins", 2020, Nucleic Acids Research
  • "From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis", 2021, Annual Review of Physical Chemistry
  • "ChatGPT Research Group for Optimizing the Crystallinity of MOFs and COFs", 2023, ACS Central Science

Frequent co-authors include Martin Head-Gordon, Oufan Zhang, Jie Li, Julie D. Forman-Kay, and Joseph P. Heindel.

Teresa Head-Gordon's publications are often found in venues such as arXiv (Cornell University), Journal of Chemical Theory and Computation, The Journal of Physical Chemistry Letters, Journal of the American Chemical Society, and Nature Communications.

The individual has been recognized with awards including Fellow of the American Chemical Society in 2018 and Fellow of the Indian National Academy of Engineering (INAE) in 2017.

Best Publications

  • Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

    Hans W. Horn;William C. Swope;Jed W. Pitera;Jeffry D. Madura

  • Improvements to the APBS biomolecular solvation software suite.

    Elizabeth Jurrus;Dave Engel;Keith Star;Kyle Monson

  • Current Status of the AMOEBA Polarizable Force Field

    Jay W. Ponder;Chuanjie Wu;Pengyu Ren;Vijay S. Pande

  • Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Evgeny Epifanovsky;Andrew T.B. Gilbert;Andrew T.B. Gilbert;Xintian Feng;Xintian Feng;Joonho Lee

  • Analytic MP2 frequencies without fifth-order storage. Theory and application to bifurcated hydrogen bonds in the water hexamer

    Martin Head-Gordon;Teresa Head-Gordon

  • Water structure from scattering experiments and simulation.

    Teresa Head-Gordon;Greg Hura

  • What can x-ray scattering tell us about the radial distribution functions of water?

    Jon M. Sorenson;Greg Hura;Robert M. Glaeser;Teresa Head-Gordon

  • Theoretical study of blocked glycine and alanine peptide analogs

    Teresa Head-Gordon;Martin Head-Gordon;Michael J. Frisch;Charles L. Brooks

  • A high-quality x-ray scattering experiment on liquid water at ambient conditions

    Greg Hura;Jon M. Sorenson;Robert M. Glaeser;Teresa Head-Gordon

  • Systematic improvement of a classical molecular model of water.

    Lee Ping Wang;Teresa Head-Gordon;Jay W. Ponder;Pengyu Ren

  • Tetrahedral structure or chains for liquid water.

    Teresa Head-Gordon;Margaret E. Johnson

  • Toy model for protein folding

    Frank H. Stillinger;Teresa Head-Gordon;Catherine L. Hirshfeld

  • The structure of ambient water

    Gary N.I. Clark;Christopher D. Cappa;Jared D. Smith;Richard J. Saykally

  • Water structure as a function of temperature from X-ray scattering experiments and ab initio molecular dynamics

    Greg Hura;Daniela Russo;Robert M. Glaeser;Teresa Head-Gordon

  • Representability problems for coarse-grained water potentials.

    Margaret E. Johnson;Teresa Head-Gordon;Ard A. Louis

  • Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15

    Lee-Ping Wang;Keri A. McKiernan;Joseph Gomes;Kyle A. Beauchamp

  • Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model

    MarieL. Laury;Lee-Ping Wang;VijayS. Pande;Teresa Head-Gordon

  • New developments in force fields for biomolecular simulations.

    Paul S Nerenberg;Teresa Head-Gordon

  • Hydration Dynamics Near a Model Protein Surface

    Daniela Russo;Greg Hura;Teresa Head-Gordon

  • Small-angle scattering and the structure of ambient liquid water

    Gary N. I. Clark;Greg L. Hura;Jose Teixeira;Alan K. Soper

Frequent Co-Authors

Martin Head-Gordon
Martin Head-Gordon University of California, Berkeley
Frank H. Stillinger
Frank H. Stillinger Princeton University
Julie D. Forman-Kay
Julie D. Forman-Kay University of Toronto
David E. Wemmer
David E. Wemmer University of California, Berkeley
Vijay S. Pande
Vijay S. Pande Stanford University
Nathan A. Baker
Nathan A. Baker Pacific Northwest National Laboratory
Chris-Kriton Skylaris
Chris-Kriton Skylaris University of Southampton
Martina Havenith
Martina Havenith Ruhr University Bochum
Richard H. Byrd
Richard H. Byrd University of Colorado Boulder
Alan K. Soper
Alan K. Soper Rutherford Appleton Laboratory

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