Projects per year
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.
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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
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Projects 1991 2020
Combining Molecular Dynamics Simulations With Crystallographic Refinement
National Institutes of Health (NIH)
1/1/17 → 12/31/20
Project: Research project
molecular dynamics
simulation
scattering
x rays
hubs
Collaborative Research: Si2 Che: Development And Deployment Of Chemical Software For Advanced Potential Energy Surfaces
National Science Foundation (NSF)
5/15/13 → 4/30/16
Project: Research project
Potential energy surfaces
Computational chemistry
Quantum chemistry
Molecular mechanics
Quantum theory
Computer Cluster For Computational And Structural Biology
National Institutes of Health (NIH)
7/22/10 → 7/21/11
Project: Research project
Proteostasis Deficiencies
Drug Design
Protein Folding
Genomics
Computational Biology
Acid- And Salt-Dependent Interactions In Proteins
National Institutes of Health (NIH)
5/1/98 → 3/31/14
Project: Research project
Salts
Acids
Molecular dynamics
Peptides
Proteins
Determination Of Solution Structures By Nmr
National Institutes of Health (NIH)
4/1/91 → 11/30/11
Project: Research project
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 journal › Article
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 journal › Article
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 journal › Review 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 journal › Review article
Crystallography
Molecular Dynamics Simulation
Crystal lattices
Molecular dynamics
Crystal
2
Citations
(Scopus)
Predicting Site-Binding Modes of Ions and Water to Nucleic Acids Using Molecular Solvation Theory
Giambaşu, G. M., Case, D. & York, D., Jan 1 2019, In : Journal of the American Chemical Society.Research output: Contribution to journal › Article
Nucleic acids
Solvation
Binding sites
Nucleic Acids
Cations