J
Jeffrey J. Headd
Researcher at Duke University
Publications - 24
Citations - 50511
Jeffrey J. Headd is an academic researcher from Duke University. The author has contributed to research in topics: Structure validation & Cyclic nucleotide binding. The author has an hindex of 19, co-authored 24 publications receiving 40578 citations. Previous affiliations of Jeffrey J. Headd include Lawrence Berkeley National Laboratory.
Papers
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Journal ArticleDOI
PHENIX: a comprehensive Python-based system for macromolecular structure solution
Paul D. Adams,Paul D. Adams,Pavel V. Afonine,Gábor Bunkóczi,Vincent B. Chen,Ian W. Davis,Nathaniel Echols,Jeffrey J. Headd,Li-Wei Hung,Gary J. Kapral,Ralf W. Grosse-Kunstleve,Airlie J. McCoy,Nigel W. Moriarty,Robert D. Oeffner,Randy J. Read,David S. Richardson,Jane S. Richardson,Thomas C. Terwilliger,Peter H. Zwart +18 more
TL;DR: The PHENIX software for macromolecular structure determination is described and its uses and benefits are described.
Journal ArticleDOI
MolProbity: all-atom structure validation for macromolecular crystallography
Vincent B. Chen,W. Bryan Arendall,Jeffrey J. Headd,Daniel A. Keedy,R.M. Immormino,Gary J. Kapral,Laura Weston Murray,Jane S. Richardson,David S. Richardson +8 more
TL;DR: MolProbity structure validation will diagnose most local errors in macromolecular crystal structures and help to guide their correction.
Book ChapterDOI
Phenix - a comprehensive python-based system for macromolecular structure solution
Paul D. Adams,Paul D. Adams,Pavel V. Afonine,Gábor Bunkóczi,Vincent B. Chen,Ian W. Davis,Nathaniel Echols,Jeffrey J. Headd,Li-Wei Hung,Gary J. Kapral,Ralf W. Grosse-Kunstleve,Airlie J. McCoy,Nigel W. Moriarty,Robert D. Oeffner,Randy J. Read,David S. Richardson,Jane S. Richardson,Thomas C. Terwilliger,Peter H. Zwart +18 more
TL;DR: PHENIX has been developed to provide a comprehensive system for macromolecular crystallographic structure solution with an emphasis on the automation of all procedures.
Journal ArticleDOI
Towards automated crystallographic structure refinement with phenix.refine
Pavel V. Afonine,Ralf W. Grosse-Kunstleve,Nathaniel Echols,Jeffrey J. Headd,Nigel W. Moriarty,Marat Mustyakimov,Thomas C. Terwilliger,Alexandre Urzhumtsev,Alexandre Urzhumtsev,Peter H. Zwart,Paul D. Adams,Paul D. Adams +11 more
TL;DR: This paper presents an overview of the major phenix.refine features, with extensive literature references for readers interested in more detailed discussions of the methods.
Journal ArticleDOI
MolProbity: More and better reference data for improved all-atom structure validation.
Christopher J. Williams,Jeffrey J. Headd,Nigel W. Moriarty,Michael G. Prisant,Lizbeth L. Videau,Lindsay N. Deis,Vishal Verma,Daniel A. Keedy,Bradley J. Hintze,Vincent B. Chen,Swati Jain,Steven M. Lewis,W. Bryan Arendall,Jack Snoeyink,Paul D. Adams,Simon C. Lovell,Jane S. Richardson,David S. Richardson +17 more
TL;DR: Due to wide application of MolProbity validation and corrections by the research community, in Phenix, and at the worldwide Protein Data Bank, newly deposited structures have continued to improve greatly as measured by Mol probity's unique all‐atom clashscore.