Publications by authors named "D Troy Case"

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Blind Prediction of Complex Water and Ion Ensembles Around RNA in CASP16.
Rachael C Kretsch, Elisa Posani, Eugene F Baulin, Janusz M Bujnicki, Giovanni Bussi, David A Case

Proteins· November 2025

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Blind prediction of complex water and ion ensembles around RNA in CASP16.
Rachael C Kretsch, Elisa Posani, Eugene F Baulin, Janusz M Bujnicki, Giovanni Bussi, David A Case

bioRxiv· November 2025

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Wavelength dependent photochemistry of an iron dinitrogen hydride complex multiple spectroscopies - competing ejection of axial ligands.
Weibing Dong, Hongxin Wang, Saeed Kamali, David R Tyler, Yisong Guo, David A Case

Chem Sci· August 2025

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Recent Developments in Amber Biomolecular Simulations.
David A Case, David S Cerutti, Vinícius Wilian D Cruzeiro, Thomas A Darden, Robert E Duke

J Chem Inf Model· August 2025

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Validated ligand geometries for macromolecular refinement restraints and molecular mechanics force fields.
Nigel W Moriarty, David A Case, Dorothee Liebschner, Paul D Adams

bioRxiv· August 2025

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