Author

D. C. Wych

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 3 Biochemistry· 1

Signature Assays, Organisms & Methods

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Research Focus:protein folding & dynamics· 4 Assay:structural biology· 3 Approach:statistical model· 2 Research Focus:drug response / drug discovery· 1 Approach:experimental assay· 1 Approach:mechanistic / dynamical model· 1 Organism:mouse· 1 Assay:protein structure· 1

Frequent Co-Authors

D. L. Mobley· 3 shared M. E. Wall· 3 shared A. M. Wolff· 2 shared J. S. Fraser· 2 shared A. E. Cohen· 1 shared A. H. Follmer· 1 shared A. S. Brewster· 1 shared C. Dolamore· 1 shared

Activity by Year

2019-2023 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 33 mutual co-author links

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3 shared papersBiophysics

D. L. Mobley

Mutual co-authors in cluster

Author profile →

4 papers

Recent·Most cited

Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography

N. Smith, M. Dasgupta, D. C. Wych, C. Dolamore, R. G. Sierra, S. Lisova, D. Marchany-Rivera, A. E. Cohen, S. Boutet, M. S. Hunter, C. Kupitz, F. Poitevin, F. R. Moss, A. S. Brewster, N. K. Sauter, , M. A. Wilson

The paper uses XFEL crystallography to observe conformational changes in an enzyme during catalysis, revealing ionization-linked dynamics that control catalytic activity.

bioRxiv · Aug 15, 2023Biochemistry

Molecular-Dynamics Simulation Methods for Macromolecular Crystallography

D. C. Wych, P. C. Aoto, L. Vu, A. M. Wolff, D. L. Mobley, J. S. Fraser, S. S. Taylor, M. E. Wall

The paper applies molecular-dynamics simulations to macromolecular crystallography to refine protein structures and improve interpretation of electron density.

bioRxiv · Apr 4, 2022Biophysics

Enhancing Sampling of Water Rehydration on Ligand Binding: A Comparison of Techniques

Y. Ge, D. C. Wych, M. L. Samways, M. E. Wall, J. W. Essex, D. L. Mobley

The paper compares MD simulation techniques for rehydrating buried water sites in protein-ligand binding, finding that grand outperforms BLUES and normal MD, but water sampling remains challenging.

bioRxiv · Jun 14, 2021Biophysics

Liquid-like and rigid-body motions in molecular-dynamics simulations of a crystalline protein

D. C. Wych, J. S. Fraser, D. L. Mobley, M. Wall

This study uses MD simulations of a crystalline protein to analyze collective motions, finding liquid-like motions dominate inter-protein dynamics while rigid-body motions are present but subsumed within the overall liquid-like behavior.

bioRxiv · Oct 18, 2019Biophysics