Projects per year
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- 3 Similar Profiles
Molecular Dynamics Simulation
Medicine & Life Sciences
Molecular dynamics
Chemical Compounds
Proteins
Engineering & Materials Science
Nuclear magnetic resonance
Chemical Compounds
Chemical shift
Chemical Compounds
Solvation
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
Solution And Solid Structures From Nmr
National Institutes of Health (NIH)
4/1/91 → 7/31/17
Project: Research project
Chemical shift
Anisotropy
Nuclear magnetic resonance
Biomolecules
Nucleic Acids
Research Output 1969 2019
Characterizing Watson-Crick versus Hoogsteen Base Pairing in a DNA-Protein Complex Using Nuclear Magnetic Resonance and Site-Specifically 13 C- and 15 N-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
X ray crystallography
X Ray Crystallography
Chemical shift
Binding energy
Base Pairing
1
Citation
(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
3
Citations
(Scopus)
Atomic structures of excited state A–T Hoogsteen base pairs in duplex DNA by combining NMR relaxation dispersion, mutagenesis, and chemical shift calculations
Shi, H., Clay, M. C., Rangadurai, A., Sathyamoorthy, B., Case, D. & Al-Hashimi, H. M., Apr 1 2018, In : Journal of biomolecular NMR. 70, 4, p. 229-244 16 p.Research output: Contribution to journal › Article
Crystal atomic structure
Mutagenesis
Chemical shift
Excited states
Base Pairing
1
Citation
(Scopus)
Chemical Shifts of the Carbohydrate Binding Domain of Galectin-3 from Magic Angle Spinning NMR and Hybrid Quantum Mechanics/Molecular Mechanics Calculations
Kraus, J., Gupta, R., Yehl, J., Lu, M., Case, D., Gronenborn, A. M., Akke, M. & Polenova, T., Mar 22 2018, In : Journal of Physical Chemistry B. 122, 11, p. 2931-2939 9 p.Research output: Contribution to journal › Article
Galectin 3
Molecular mechanics
Magic angle spinning
Quantum theory
carbohydrates
1
Citation
(Scopus)
Cryptic binding sites become accessible through surface reconstruction of the type I collagen fibril
Zhu, J., Hoop, C. L., Case, D. & Baum, J., Dec 1 2018, In : Scientific reports. 8, 1, 16646.Research output: Contribution to journal › Article
Collagen Type I
Collagen
Binding Sites
Atomic Force Microscopy
Molecular Dynamics Simulation