Refinement of RNA Structures Using Amber Force Fields

por Gray, Jonathon G., Case, David A.
Publicado 2021

Diffuse X-ray scattering from correlated motions in a protein crystal

por Meisburger, Steve P., Case, David A., Ando, Nozomi
Publicado 2020

Robust total X-ray scattering workflow to study correlated motion of proteins in crystals

por Meisburger, Steve P., Case, David A., Ando, Nozomi
Publicado 2023

Structural fidelity and NMR relaxation analysis in a prototype RNA hairpin

por Giambaşu, George M., York, Darrin M., Case, David A.
Publicado 2015

Cryptic binding sites become accessible through surface reconstruction of the type I collagen fibril

por Zhu, Jie, Hoop, Cody L., Case, David A., Baum, Jean
Publicado 2018

ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins

por Cerutti, David S., Swope, William C., Rice, Julia E., Case, David A.
Publicado 2014

Integral equation models for solvent in macromolecular crystals

por Gray, Jonathon G., Giambaşu, George M., Case, David A., Luchko, Tyler
Publicado 2022

Revealing Accessibility of Cryptic Protein Binding Sites within the Functional Collagen Fibril

por Hoop, Cody L., Zhu, Jie, Nunes, Ana Monica, Case, David A., Baum, Jean
Publicado 2017

DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics

por Chen, Jingyang, Dupradeau, François-Yves, Case, David A., Turner, Christopher J., Stubbe, JoAnne
Publicado 2008

Energetic Selection of Topology in Ferredoxins

por Kim, J. Dongun, Rodriguez-Granillo, Agustina, Case, David A., Nanda, Vikas, Falkowski, Paul G.
Publicado 2012

Comparison of SARS and NL63 Papain-Like Protease Binding Sites and Binding Site Dynamics: Inhibitor Design Implications

por Chaudhuri, Rima, Tang, Sishi, Zhao, Guijun, Lu, Hui, Case, David A., Johnson, Michael E.
Publicado 2011

Coupled intra- and interdomain dynamics support domain cross-talk in Pin1

por Zhang, Meiling, Frederick, Thomas E., VanPelt, Jamie, Case, David A., Peng, Jeffrey W.
Publicado 2021

Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model

por Debiec, Karl T., Cerutti, David S., Baker, Lewis R., Gronenborn, Angela M., Case, David A., Chong, Lillian T.
Publicado 2016

Solution NMR readily reveals distinct structural folds and interactions in doubly (13)C- and (19)F-labeled RNAs

por Becette, Owen B., Zong, Guanghui, Chen, Bin, Taiwo, Kehinde M., Case, David A., Dayie, T. Kwaku
Publicado 2020

Competitive interaction of monovalent cations with DNA from 3D-RISM

por Giambaşu, George M., Gebala, Magdalena K., Panteva, Maria T., Luchko, Tyler, Case, David A., York, Darrin M.
Publicado 2015

A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site

por Nguyen, Crystal, Yamazaki, Takeshi, Kovalenko, Andriy, Case, David A., Gilson, Michael K., Kurtzman, Tom, Luchko, Tyler
Publicado 2019

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

por Moriarty, Nigel W., Janowski, Pawel A., Swails, Jason M., Nguyen, Hai, Richardson, Jane S., Case, David A., Adams, Paul D.
Publicado 2020

Improved ligand geometries in crystallographic refinement using AFITT in PHENIX

por Janowski, Pawel A., Moriarty, Nigel W., Kelley, Brian P., Case, David A., York, Darrin M., Adams, Paul D., Warren, Gregory L.
Publicado 2016

Rapid and accurate determination of atomistic RNA dynamic ensemble models using NMR and structure prediction

por Shi, Honglue, Rangadurai, Atul, Abou Assi, Hala, Roy, Rohit, Case, David A., Herschlag, Daniel, Yesselman, Joseph D., Al-Hashimi, Hashim M.
Publicado 2020

A quantitative model predicts how m(6)A reshapes the kinetic landscape of nucleic acid hybridization and conformational transitions

por Liu, Bei, Shi, Honglue, Rangadurai, Atul, Nussbaumer, Felix, Chu, Chia-Chieh, Erharter, Kevin Andreas, Case, David A., Kreutz, Christoph, Al-Hashimi, Hashim M.
Publicado 2021