Using data in the PDB and EMDB for testing new algorithms
Liebschner, D., Afonine, P. V., Moriarty, N. W., Poon, B. K., Adams, P. D.
Published in Acta crystallographica. Section A, Foundations and advances (22.08.2023)
Published in Acta crystallographica. Section A, Foundations and advances (22.08.2023)
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Journal Article
A global Ramachandran score identifies protein structures with unlikely stereochemistry
Sobolev, O. V., Afonine, P. V., Moriarty, N. W., Hekkelman, M. L., Joosten, R. P., Perrakis, A., Adams, P. D.
Published in Acta crystallographica. Section A, Foundations and advances (22.08.2023)
Published in Acta crystallographica. Section A, Foundations and advances (22.08.2023)
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Journal Article
PHENIX: building new software for automated crystallographic structure determination
Adams, Paul D., Grosse-Kunstleve, Ralf W., Hung, Li-Wei, Ioerger, Thomas R., McCoy, Airlie J., Moriarty, Nigel W., Read, Randy J., Sacchettini, James C., Sauter, Nicholas K., Terwilliger, Thomas C.
Published in Acta crystallographica. Section D, Biological crystallography. (01.11.2002)
Published in Acta crystallographica. Section D, Biological crystallography. (01.11.2002)
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Journal Article
Recent developments in the PHENIX software for automated crystallographic structure determination
Adams, Paul D., Gopal, Kreshna, Grosse-Kunstleve, Ralf W., Hung, Li-Wei, Ioerger, Thomas R., McCoy, Airlie J., Moriarty, Nigel W., Pai, Reetal K., Read, Randy J., Romo, Tod D., Sacchettini, James C., Sauter, Nicholas K., Storoni, Laurent C., Terwilliger, Thomas C.
Published in Journal of synchrotron radiation (01.01.2004)
Published in Journal of synchrotron radiation (01.01.2004)
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Journal Article
Conference Proceeding
Graphical tools for structure determination and refinement in PHENIX
Echols, N., Afonine, P. V., Bunkóczi, G., Chen, V. B., Davis, I. W., Headd, J. J., Hung, L. -W., Kapral, G. J., Grosse-Kunstleve, R. W., McCoy, A. J., Moriarty, N. W., Oeffner, R., Read, R. J., Richardson, D. C., Richardson, J. S., Terwilliger, T. C., Zwart, P. H., Adams, P. D.
Published in Acta crystallographica. Section A, Foundations of crystallography (22.08.2011)
Published in Acta crystallographica. Section A, Foundations of crystallography (22.08.2011)
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Journal Article
Phenix refine developments
Grosse-Kunstleve, R. W., Afonine, P. V., Zwart, P. H., Terwilliger, T. C., Moriarty, N. W., Urzhumtsev, A., Adams, P. D.
Published in Acta crystallographica. Section A, Foundations of crystallography (22.08.2007)
Published in Acta crystallographica. Section A, Foundations of crystallography (22.08.2007)
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Journal Article
On unimolecular decomposition of phenyl radical
Wang, Hai, Laskin, Alexander, Moriarty, Nigel W., Frenklach, Michael
Published in Proceedings of the Combustion Institute (2000)
Published in Proceedings of the Combustion Institute (2000)
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Journal Article
Computational economy improvements in PRISM
Tonse, Shaheen R., Moriarty, Nigel W., Frenklach, Michael, Brown, Nancy J.
Published in International journal of chemical kinetics (2003)
Published in International journal of chemical kinetics (2003)
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Journal Article
Propargyl radical: an electron localization function study
Krokidis, Xénophon, Moriarty, Nigel W., Lester, Jr, William A., Frenklach, Michael
Published in Chemical physics letters (10.12.1999)
Published in Chemical physics letters (10.12.1999)
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Journal Article
Tetramethylene: A CASPT2 study
Moriarty, Nigel W, Lindh, Roland, Karlström, Gunnar
Published in Chemical physics letters (19.06.1998)
Published in Chemical physics letters (19.06.1998)
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Journal Article