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Ian W. Davis
Researcher at Duke University
Publications - 18
Citations - 40074
Ian W. Davis is an academic researcher from Duke University. The author has contributed to research in topics: Kinemage & Structure validation. The author has an hindex of 15, co-authored 18 publications receiving 34436 citations. Previous affiliations of Ian W. Davis include Durham University & University of Washington.
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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.
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
Structure validation by Calpha geometry: phi,psi and Cbeta deviation.
Simon C. Lovell,Ian W. Davis,W. Bryan Arendall,Paul I.W. de Bakker,J. Michael Word,Michael G. Prisant,Jane S. Richardson,David S. Richardson +7 more
TL;DR: Geometrical validation around the Cα is described, with a new Cβ measure and updated Ramachandran plot, and Favored and allowed ϕ,ψ regions are also defined for Pro, pre‐Pro, and Gly (important because Gly ϕ‐ψ angles are more permissive but less accurately determined).
Journal ArticleDOI
MolProbity: all-atom contacts and structure validation for proteins and nucleic acids
Ian W. Davis,Andrew Leaver-Fay,Vincent B. Chen,Jeremy N. Block,Gary J. Kapral,Xueyi Wang,Laura Weston Murray,W. Bryan Arendall,Jack Snoeyink,Jane S. Richardson,David S. Richardson +10 more
TL;DR: MolProbity is a general-purpose web server offering quality validation for 3D structures of proteins, nucleic acids and complexes that provides detailed all-atom contact analysis of any steric problems within the molecules as well as updated dihedral-angle diagnostics.
Book ChapterDOI
ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules.
Andrew Leaver-Fay,Michael D. Tyka,Steven M. Lewis,Oliver F. Lange,James Thompson,Ron Jacak,Kristian W. Kaufman,P. Douglas Renfrew,Colin A. Smith,William Sheffler,Ian W. Davis,Seth Cooper,Adrien Treuille,Daniel J. Mandell,Florian Richter,Yih-En Andrew Ban,Sarel J. Fleishman,Jacob E. Corn,David E. Kim,Sergey Lyskov,Monica Berrondo,Stuart Mentzer,Zoran Popović,James J. Havranek,John Karanicolas,Rhiju Das,Jens Meiler,Tanja Kortemme,Jeffrey J. Gray,Brian Kuhlman,David Baker,Philip Bradley +31 more
TL;DR: This chapter describes the requirements for the ROSETTA molecular modeling program's new architecture, justifies the design decisions, sketches out central classes, and highlights a few of the common tasks that the new software can perform.