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David A. Case
Researcher at Rutgers University
Publications - 369
Citations - 84216
David A. Case is an academic researcher from Rutgers University. The author has contributed to research in topics: Molecular dynamics & Solvation. The author has an hindex of 102, co-authored 364 publications receiving 74066 citations. Previous affiliations of David A. Case include University of Utah & Scripps Health.
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Posted ContentDOI
Diffuse X-ray Scattering from Correlated Motions in a Protein Crystal
TL;DR: A detailed diffuse scattering map from triclinic lysozyme is presented that resolves both inter- and intramolecular correlations and lays the groundwork for animating crystal structures with biochemically relevant motions.
OtherDOI
Drug-Target Binding Forces: Advances in Force Field Approaches
Peter A. Kollman,David A. Case +1 more
TL;DR: In this article, the basic physical chemical principles that determine the strength of non-covalent interactions between ligands and receptors are discussed, and three examples are discussed in some detail: biotin-avidin, trimethoprim-dihydrofolate reductase and intercalator-DNA interactions.
Book ChapterDOI
Modern Computational Approaches to Modeling Polynuclear Transition Metal Complexes
TL;DR: In this article, the authors discuss some approaches to energetic issues involving transition metal clusters in proteins, drawing examples primarily from recent work in our lab, focusing on prospects and difficulties one faces in setting up practical calculations on these large and complex systems.
Journal ArticleDOI
Robust total X-ray scattering workflow to study correlated motion of proteins in crystals
TL;DR: In this article , a high-resolution experimental approach based on the total scattering from protein crystals at room temperature (TS/RT-MX) was presented to capture both structure and collective motions.