• 56643 Citations
  • 95 h-Index
1969 …2020
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Fingerprint Dive into the research topics where David Case is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 2 Similar Profiles
Molecular Dynamics Simulation Medicine & Life Sciences
Molecular dynamics Chemical Compounds
Nuclear magnetic resonance Chemical Compounds
Proteins Engineering & Materials Science
Solvation Chemical Compounds
Chemical shift Chemical Compounds
Nucleic Acids Chemical Compounds
Free energy Chemical Compounds

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Projects 1991 2020

molecular dynamics
simulation
scattering
x rays
hubs
Potential energy surfaces
Computational chemistry
Quantum chemistry
Molecular mechanics
Quantum theory
Proteostasis Deficiencies
Drug Design
Protein Folding
Genomics
Computational Biology
Salts
Acids
Molecular dynamics
Peptides
Proteins
Nuclear magnetic resonance
Nucleic Acids
Chemical shift
Proteins
Anisotropy

Research Output 1969 2019

A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site

Nguyen, C., Yamazaki, T., Kovalenko, A., Case, D., Gilson, M. K., Kurtzman, T. & Luchko, T., Jan 1 2019, In : PloS one. 14, 7, e0219473.

Research output: Contribution to journalArticle

Open Access
Solvation
Thermodynamics
active sites
thermodynamics
Hydration

Characterizing Watson-Crick versus Hoogsteen Base Pairing in a DNA-Protein Complex Using Nuclear Magnetic Resonance and Site-Specifically 13C- and 15N-Labeled DNA

Zhou, H., Sathyamoorthy, B., Stelling, A., Xu, Y., Xue, Y., Pigli, Y. Z., Case, D., Rice, P. A. & Al-Hashimi, H. M., Apr 16 2019, In : Biochemistry. 58, 15, p. 1963-1974 12 p.

Research output: Contribution to journalArticle

Base Pairing
Integration Host Factors
Magnetic Resonance Spectroscopy
Nuclear magnetic resonance
DNA
1 Citation (Scopus)

Generalized Born Implicit Solvent Models for Biomolecules

Onufriev, A. V. & Case, D., May 6 2019, In : Annual Review of Biophysics. 48, p. 275-296 22 p.

Research output: Contribution to journalReview article

Biomolecules
Molecular Dynamics Simulation
Solvation
Molecular dynamics
Mechanics

Molecular dynamics simulations of macromolecular crystals

Cerutti, D. S. & Case, D., Jul 1 2019, In : Wiley Interdisciplinary Reviews: Computational Molecular Science. 9, 4, e1402.

Research output: Contribution to journalReview article

Crystallography
Molecular Dynamics Simulation
Crystal lattices
Molecular dynamics
Crystal
2 Citations (Scopus)
Nucleic acids
Solvation
Binding sites
Nucleic Acids
Cations