No photo of David Case

View Scopus Profile

David Case

 https://orcid.org/0000-0003-2314-2346
  • 58931 Citations
  • 97 h-Index
1969 …2022
If you made any changes in Pure, your changes will be visible here soon.

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.

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

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Projects 1987 2022

Combining molecular dynamics simulations with crystallographic refinement

Case, D.

National Institutes of Health

1/1/17 → 12/31/20

Project: Research project

molecular dynamics
simulation
scattering
adenosine diphosphate
x rays

The Center for HIV RNA Studies (CRNA)

Case, D., Smith, J. L., Telesnitsky, A., Al-Hashimi, H., Johnson, B., Bieniasz, P. D., Simon, S., Tolbert, B. S., Dayie, K., Chiu, W. A. H., D'Souza, V. M., Boris-Lawrie, K. A., Smith, J. L., Telesnitsky, A., Parent, L. J., Salemi, M., Al-Hashimi, H. M., Summers, M. F. & Brown, J.

National Institutes of Health

9/17/12 → 8/31/22

Project: Research project

HIV
RNA
HIV-1
X ray scattering
Nuclear magnetic resonance

The Center for HIV RNA Studies (CRNA)

Case, D., Chiu, W. A. H., Bieniasz, P. D., Smith, J. L., Tolbert, B. S., Summers, M. F., D'Souza, V. M. & Telesnitsky, A.

National Institutes of Health

9/17/12 → 8/31/22

Project: Research project

X ray scattering
Nuclear magnetic resonance
RNA
Genes
Crystallography

COLLABORATIVE RESEARCH: SI2 CHE: DEVELOPMENT AND DEPLOYMENT OF CHEMICAL SOFTWARE FOR ADVANCED POTENTIAL ENERGY SURFACES

Case, D.

National Science Foundation (National Science Foundation (NSF))

5/15/13 → 4/30/16

Project: Research project

Potential energy surfaces
Computational chemistry
Quantum chemistry
Molecular mechanics
Quantum theory

Conference on Computational Aspects of Biomolecular NMR

Case, D.

National Institutes of Health

3/1/01 → 2/28/02

Project: Research project

nuclear magnetic resonance
data acquisition
drugs
communication
disorders

Research Output 1969 2020

Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix

Moriarty, N. W., Janowski, P. A., Swails, J. M., Nguyen, H., Richardson, J. S., Case, D. A. & Adams, P. D., Jan 1 2020, In : Acta Crystallographica Section D: Structural Biology. 76, p. 51-62 12 p.

Research output: Contribution to journal › Article

Open Access
Amber
Static Electricity
Cryoelectron Microscopy
Molecular Dynamics Simulation
Hydrogen
2 Citations (Scopus)

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. A., Gilson, M. K., Kurtzman, T. & Luchko, T., Jan 1 2019, In : PloS one. 14, 7, e0219473.

Research output: Contribution to journal › Article

Open Access
Solvation
Thermodynamics
active sites
thermodynamics
Hydration
1 Citation (Scopus)

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. A., Rice, P. A. & Al-Hashimi, H. M., Apr 16 2019, In : Biochemistry. 58, 15, p. 1963-1974 12 p.

Research output: Contribution to journal › Article

Base Pairing
Integration Host Factors
Magnetic Resonance Spectroscopy
Nuclear magnetic resonance
DNA
3 Citations (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 journal › Review article

Biomolecules
Molecular Dynamics Simulation
Solvation
Molecular dynamics
Mechanics
4 Citations (Scopus)

High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E4(4H)

Hoeke, V., Tociu, L., Case, D. A., Seefeldt, L. C., Raugei, S. & Hoffman, B. M., Jul 31 2019, In : Journal of the American Chemical Society. 141, 30, p. 11984-11996 13 p.

Research output: Contribution to journal › Article

Nitrogenase
Electron Spin Resonance Spectroscopy
Hydrides
Spectrum Analysis
Spectroscopy