MolProbity: all-atom structure validation for macromolecular crystallography VB Chen, WB Arendall, JJ Headd, DA Keedy, RM Immormino, GJ Kapral, ... Acta Crystallographica Section D: Biological Crystallography 66 (1), 12-21, 2010 | 14674 | 2010 |
MolProbity: more and better reference data for improved all‐atom structure validation CJ Williams, JJ Headd, NW Moriarty, MG Prisant, LL Videau, LN Deis, ... Protein Science 27 (1), 293-315, 2018 | 3495 | 2018 |
Alternate states of proteins revealed by detailed energy landscape mapping MD Tyka, DA Keedy, I André, F DiMaio, Y Song, DC Richardson, ... Journal of molecular biology 405 (2), 607-618, 2011 | 377 | 2011 |
CryptoSite: expanding the druggable proteome by characterization and prediction of cryptic binding sites P Cimermancic, P Weinkam, TJ Rettenmaier, L Bichmann, DA Keedy, ... Journal of molecular biology 428 (4), 709-719, 2016 | 219 | 2016 |
Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography DA Keedy, LR Kenner, M Warkentin, RA Woldeyes, JB Hopkins, ... Elife 4, e07574, 2015 | 189 | 2015 |
An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering DA Keedy, ZB Hill, JT Biel, E Kang, TJ Rettenmaier, J Brandao-Neto, ... Elife 7, e36307, 2018 | 160 | 2018 |
Crystal cryocooling distorts conformational heterogeneity in a model Michaelis complex of DHFR DA Keedy, H Van Den Bedem, DA Sivak, GA Petsko, D Ringe, MA Wilson, ... Structure 22 (6), 899-910, 2014 | 147 | 2014 |
osprey: Protein Design with Ensembles, Flexibility, and Provable Algorithms. P Gainza, KE Roberts, I Georgiev, RH Lilien, DA Keedy, CY Chen, F Reza, ... Methods in enzymology 523, 87, 2013 | 143 | 2013 |
Dead‐End elimination with perturbations (“DEEPer”): A provable protein design algorithm with continuous sidechain and backbone flexibility MA Hallen, DA Keedy, BR Donald Proteins: Structure, Function, and Bioinformatics, 2012 | 107 | 2012 |
Algorithm for backrub motions in protein design I Georgiev, D Keedy, JS Richardson, DC Richardson, BR Donald Bioinformatics 24 (13), i196-i204, 2008 | 101 | 2008 |
Ultrasonic characterization of human cancellous bone in vitro using three different apparent backscatter parameters in the frequency range 0.6-15.0 MHz BK Hoffmeister, DP Johnson, JA Janeski, DA Keedy, BW Steinert, ... IEEE transactions on ultrasonics, ferroelectrics, and frequency control 55 …, 2008 | 99 | 2008 |
The other 90% of the protein: Assessment beyond the Cαs for CASP8 template‐based and high‐accuracy models DA Keedy, CJ Williams, JJ Headd, WB Arendall III, VB Chen, GJ Kapral, ... Proteins: Structure, Function, and Bioinformatics 77 (S9), 29-49, 2009 | 96 | 2009 |
Exposing hidden alternative backbone conformations in X-ray crystallography using qFit DA Keedy, JS Fraser, H van den Bedem PLoS computational biology 11 (10), e1004507, 2015 | 93 | 2015 |
W., Richardson, JS, and Richardson, DC (2010)." MolProbity: all-atom structure validation for macromolecular crystallography VB Chen, WB Arendall III, JJ Headd, DA Keedy, RM Immormino, ... Acta Cryst. D 66, 12-21, 0 | 70 | |
Conformational variation of proteins at room temperature is not dominated by radiation damage S Russi, A González, LR Kenner, DA Keedy, JS Fraser, H Bedem Journal of synchrotron radiation 24 (1), 73-82, 2017 | 61 | 2017 |
qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps GCP van Zundert, BM Hudson, SHP de Oliveira, DA Keedy, R Fonseca, ... Journal of Medicinal Chemistry 61 (24), 11183-11198, 2018 | 54 | 2018 |
Autofix for backward-fit sidechains: using MolProbity and real-space refinement to put misfits in their place JJ Headd, RM Immormino, DA Keedy, P Emsley, DC Richardson, ... Journal of structural and functional genomics 10, 83-93, 2009 | 47 | 2009 |
qFit 3: Protein and ligand multiconformer modeling for X‐ray crystallographic and single‐particle cryo‐EM density maps BT Riley, SA Wankowicz, SHP de Oliveira, GCP van Zundert, DW Hogan, ... Protein Science 30 (1), 270-285, 2021 | 44 | 2021 |
Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B TS Mehlman, JT Biel, SM Azeem, ER Nelson, S Hossain, L Dunnett, ... Elife 12, e84632, 2023 | 41 | 2023 |
Journey to the center of the protein: allostery from multitemperature multiconformer X-ray crystallography DA Keedy Acta Crystallographica Section D: Structural Biology 75 (2), 123-137, 2019 | 35 | 2019 |