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Chemistry

D-Index
118
Citations
116732
World Ranking
525
National Ranking
226

Overview

David A. Case is affiliated with Rutgers, The State University of New Jersey in the United States. Their primary research contributions lie within the broad field of Biochemistry, Genetics and Molecular Biology, with a focus on Molecular Biology, Materials Chemistry, Spectroscopy, Cell Biology, and Information Systems and Management as notable subfields.

The scientist's work centers on topics such as Protein Structure and Dynamics, RNA and protein synthesis mechanisms, Enzyme Structure and Function, RNA Research and Splicing, DNA and Nucleic Acid Chemistry, Advanced NMR Techniques and Applications, and RNA modifications and cancer.

David A. Case has published extensively in a variety of scientific venues. Frequent publication venues include:

  • Biophysical Journal
  • bioRxiv (Cold Spring Harbor Laboratory)
  • Nature Communications
  • Journal of Chemical Information and Modeling
  • The Journal of Chemical Physics

Some of the recent papers contributing to the scientist's academic record are:

  • AmberTools, 2023, Journal of Chemical Information and Modeling
  • Structural basis for transcriptional start site control of HIV-1 RNA fate, 2020, Science
  • Rapid and accurate determination of atomistic RNA dynamic ensemble models using NMR and structure prediction, 2020, Nature Communications
  • Classical molecular dynamics, 2021, The Journal of Chemical Physics
  • Diffuse X-ray scattering from correlated motions in a protein crystal, 2020, Nature Communications

David A. Case has collaborated frequently with several coauthors, including Thomas E. Cheatham, Lillian T. Chong, Rachael C. Kretsch, Shanshan Li, and Michael Z. Palo, each of whom has coauthored at least six publications with the scientist.

Best Publications

  • Development and testing of a general amber force field.

    Junmei Wang;Romain M. Wolf;James W. Caldwell;Peter A. Kollman

  • The Amber biomolecular simulation programs

    David A. Case;Thomas E. Cheatham;Tom Darden;Holger Gohlke

  • A NEW FORCE FIELD FOR MOLECULAR MECHANICAL SIMULATION OF NUCLEIC ACIDS AND PROTEINS

    S J Weiner;P A Kollman;D A Case;U C Singh

  • Automatic atom type and bond type perception in molecular mechanical calculations.

    Junmei Wang;Wei Wang;Peter A. Kollman;David A. Case

  • Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models

    Peter A. Kollman;Irina Massova;Carolina Reyes;Bernd Kuhn

  • An all atom force field for simulations of proteins and nucleic acids.

    Scott J. Weiner;Peter A. Kollman;Dzung T. Nguyen;David A. Case

  • CHARMM-GUI Input Generator for NAMD, Gromacs, Amber, Openmm, and CHARMM/OpenMM Simulations using the CHARMM36 Additive Force Field

    Jumin Lee;Xi Cheng;Jason M. Swails;Min Sun Yeom

  • AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules

    David A. Pearlman;David A. Case;James W. Caldwell;Wilson S. Ross

  • Exploring protein native states and large-scale conformational changes with a modified generalized born model.

    Alexey Onufriev;Donald Bashford;David A. Case

  • An overview of the Amber biomolecular simulation package

    Romelia Salomon-Ferrer;David A. Case;Ross C. Walker

  • Force fields for protein simulations

    Jay W. Ponder;David A. Case

  • Continuum Solvent Studies of the Stability of DNA, RNA, and Phosphoramidate−DNA Helices

    Jayashree Srinivasan;Thomas E. Cheatham;Piotr Cieplak;Peter A. Kollman

  • Generalized born models of macromolecular solvation effects

    Donald Bashford;David A. Case

  • Insights into Protein-Protein Binding by Binding Free Energy Calculation and Free Energy Decomposition for the Ras-Raf and Ras-RalGDS Complexes

    Holger Gohlke;Christina Kiel;David A. Case

  • Modification of the Generalized Born Model Suitable for Macromolecules

    Alexey Onufriev;and Donald Bashford;David A. Case

  • Theory and applications of the generalized Born solvation model in macromolecular simulations.

    Vickie Tsui;David A. Case

  • Parmbsc1: a refined force field for DNA simulations

    Ivan Ivani;Pablo D Dans;Agnes Noy;Alberto Pérez

  • Converging free energy estimates: MM-PB(GB)SA studies on the protein–protein complex Ras–Raf

    Holger Gohlke;David A. Case

  • Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters

    L. Noodleman;C.Y. Peng;D.A. Case;J.-M. Mouesca

  • Three-dimensional solution structure of a single zinc finger DNA-binding domain.

    Min S. Lee;Garry P. Gippert;Kizhake V. Soman;David A. Case

  • A NEW FORCE FIELD FOR MOLECULAR MECHANICAL SIMULATION OF NUCLEIC ACIDS AND PROTEINS

    S. J. Weiner;P. A. Kollman;D. A. Case;U. C. Singh

Frequent Co-Authors

Louis Noodleman
Louis Noodleman Scripps Research Institute
Peter E. Wright
Peter E. Wright Scripps Research Institute
Peter A. Kollman
Peter A. Kollman University of California, San Francisco
Thomas E. Cheatham
Thomas E. Cheatham University of Utah
Edmund Fantino
Edmund Fantino University of California, San Diego
Walter J. Chazin
Walter J. Chazin Vanderbilt University
Martin Karplus
Martin Karplus Harvard University
Paul D. Adams
Paul D. Adams Lawrence Berkeley National Laboratory
Stephen P. Cramer
Stephen P. Cramer Search for Extraterrestrial Intelligence
Darrin M. York
Darrin M. York Rutgers, The State University of New Jersey

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