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PanDDA
Description:
PanDDA is a crystallographic data-analysis method that detects ligand-bound protein states obscured in electron-density maps.
Primary topic:
Enzyme Structure and Function (44%)
Related topics:
Enzyme Structure and Function (44%),
SARS-CoV-2 and COVID-19 Research (26%),
Protein Degradation and Inhibitors (7%)
OpenAlex ID:
keywords/pandda
A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density
2017
·
Nicholas M. Pearce
, Tobias Krojer
, et al.
·
Nature Communications
·
291
PDF
Structure-guided fragment-based drug discovery at the synchrotron: screening binding sites and correlations with hotspot mapping
2019
·
Sherine E. Thomas
, Patrick Collins
, et al.
·
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
·
42
Pre-clustering data sets using cluster4x improves the signal-to-noise ratio of high-throughput crystallography drug-screening analysis
2020
·
Helen M. Ginn
·
Acta Crystallographica Section D Structural Biology
·
25
PDF
A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II
2020
·
Steffen Glöckner
, Andreas Heine
, et al.
·
Biomolecules
·
13
PDF
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z45617795
2020
·
D. Fearon
, A.J. Powell
, et al.
·
Worldwide Protein Data Bank
·
12
Expanding automated multiconformer ligand modeling to macrocycles and fragments
2025
·
Jessica Flowers
, Nathaniel Echols
, et al.
·
eLife
·
10
PDF
A design program for digital and analogue filters: PANDDA
1989
·
Robert Henderson
, Li Ping
, et al.
·
10
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1220452176
2020
·
D. Fearon
, A.J. Powell
, et al.
·
Worldwide Protein Data Bank
·
9
Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening
2024
·
Liqing Huang
, Weiwei Wang
, et al.
·
IUCrJ
·
6
PDF
Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening
2023
·
Friederike T. Füsser
, Jan Wollenhaupt
, et al.
·
Acta Crystallographica Section D Structural Biology
·
6
PDF
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z18197050
2020
·
D. Fearon
, A.J. Powell
, et al.
·
Worldwide Protein Data Bank
·
6
A Multi-Crystal Method for Extracting Obscured Signal from Crystallographic Electron Density
2016
·
Nicholas M Pearce
, Anthony R Bradley
, et al.
·
bioRxiv (Cold Spring Harbor Laboratory)
·
6
PDF
Computer-Aided Design of Switched-Capacitor Filters
1989
·
Robert Kerr Henderson
·
Enlighten: Theses (The University of Glasgow)
·
6
PDF
High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms
2024
·
Shumeng Ma
, Shymaa Damfo
, et al.
·
Acta Crystallographica Section D Structural Biology
·
4
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434899
2020
·
D. Fearon
, C.D. Owen
, et al.
·
Worldwide Protein Data Bank
·
4
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z44592329
2020
·
D. Fearon
, A.J. Powell
, et al.
·
Worldwide Protein Data Bank
·
4
Expanding automated multiconformer ligand modeling to macrocycles and fragments
2025
·
Jessica Flowers
, Nathaniel Echols
, et al.
·
eLife
·
3
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z219104216
2020
·
D. Fearon
, A.J. Powell
, et al.
·
Worldwide Protein Data Bank
·
3
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000922
2020
·
G.J. Correy
, I.D. Young
, et al.
·
Worldwide Protein Data Bank
·
2
Raw diffraction data for structure of SARS-CoV-2 main protease with Z44592329 (ID: mpro-x0434 / PDB: 5R83)
2020
·
Aragao, David
, Brandao-Neto, Jose
, et al.
·
Zenodo (CERN European Organization for Nuclear Research)
·
2
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00024905
2020
·
D. Fearon
, C.D. Owen
, et al.
·
Worldwide Protein Data Bank
·
2
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741969146
2020
·
D. Fearon
, C.D. Owen
, et al.
·
Worldwide Protein Data Bank
·
2
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease screened against DSI poised (Enamine), Fraglites and Peplites (Newcastle university), Mini Frags (Astex), York 3D (York university), electrophile cysteine covalent (Weizman institute) fragment libraries
2020
·
D. Fearon
, C.D. Owen
, et al.
·
Worldwide Protein Data Bank
·
2
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z1367324110
2020
·
D. Fearon
, A.J. Powell
, et al.
·
Worldwide Protein Data Bank
·
2
Pandda Analysis Of Baz2B Screened Against Zenobia Fragment Library (Html Summary)
2017
·
Krojer, Tobias
, Pearce, Nicholas M
, et al.
·
Zenodo (CERN European Organization for Nuclear Research)
·
2
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Works count:
5,029
Citation count:
548
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