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Author Details

David R Hall
Diamond Light Source Ltd, Harwell Science & Innovation Campus
1998
68
35
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
33756110The antigenic anatomy of SARS-CoV-2 receptor binding domain.Cell2021
33852911Antibody evasion by the P.1 strain of SARS-CoV-2.Cell2021
33743891Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.Cell2021
33756110The antigenic anatomy of SARS-CoV-2 receptor binding domain.Cell2021
33743891Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.Cell2021
33852911Antibody evasion by the P.1 strain of SARS-CoV-2.Cell2021
32939270Gold Standard for macromolecular crystallography diffraction data.IUCrJ2020
31851823Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).Biochemistry2020
31949913Measuring energy-dependent photoelectron escape in microcrystals.IUCrJ2020
32939270Gold Standard for macromolecular crystallography diffraction data.IUCrJ2020
34895658A comprehensive approach to X-ray crystallography for drug discovery at a synchrotron facility - The example of Diamond Light Source.Drug Discov Today Technol2020
34895658A comprehensive approach to X-ray crystallography for drug discovery at a synchrotron facility - The example of Diamond Light Source.Drug Discov Today Technol2020
31949913Measuring energy-dependent photoelectron escape in microcrystals.IUCrJ2020
31851823Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).Biochemistry2020
30950396How best to use photons.Acta Crystallogr D Struct Biol2019
31274316Kinase Atlas: Druggability Analysis of Potential Allosteric Sites in Kinases.J Med Chem2019
30950396How best to use photons.Acta Crystallogr D Struct Biol2019
31274316Kinase Atlas: Druggability Analysis of Potential Allosteric Sites in Kinases.J Med Chem2019
29101520Protein-ligand docking using FFT based sampling: D3R case study.J Comput Aided Mol Des2018
29533241Where is crystallography going?Acta Crystallogr D Struct Biol2018
29581267Exploring the structural origins of cryptic sites on proteins.Proc Natl Acad Sci U S A2018
29101520Protein-ligand docking using FFT based sampling: D3R case study.J Comput Aided Mol Des2018
29581267Exploring the structural origins of cryptic sites on proteins.Proc Natl Acad Sci U S A2018
29533241Where is crystallography going?Acta Crystallogr D Struct Biol2018
27771482ClusPro-DC: Dimer Classification by the Cluspro Server for Protein-Protein Docking.J Mol Biol2017
28994793Biochemical and Structural Characterization of the Carbohydrate Transport Substrate-binding-protein SP0092.J Vis Exp2017
27936493New additions to the ClusPro server motivated by CAPRI.Proteins2017
27771482ClusPro-DC: Dimer Classification by the Cluspro Server for Protein-Protein Docking.J Mol Biol2017
28079879The ClusPro web server for protein-protein docking.Nat Protoc2017
28079879The ClusPro web server for protein-protein docking.Nat Protoc2017
28994793Biochemical and Structural Characterization of the Carbohydrate Transport Substrate-binding-protein SP0092.J Vis Exp2017
27936493New additions to the ClusPro server motivated by CAPRI.Proteins2017
26891978Quantifying the chameleonic properties of macrocycles and other high-molecular-weight drugs.Drug Discov Today2016
26891978Quantifying the chameleonic properties of macrocycles and other high-molecular-weight drugs.Drug Discov Today2016
27122118Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment.Proteins2016
27630057The use of fake ligands from computational solvent mapping in ligand and structure-based virtual screening.Future Med Chem2016
27539848Structural Basis for Interactions Between Contactin Family Members and Protein-tyrosine Phosphatase Receptor Type G in Neural Tissues.J Biol Chem2016
27630057The use of fake ligands from computational solvent mapping in ligand and structure-based virtual screening.Future Med Chem2016
27122118Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment.Proteins2016
27539848Structural Basis for Interactions Between Contactin Family Members and Protein-tyrosine Phosphatase Receptor Type G in Neural Tissues.J Biol Chem2016
25502203Application of in situ diffraction in high-throughput structure determination platforms.Methods Mol Biol2015
25502203Application of in situ diffraction in high-throughput structure determination platforms.Methods Mol Biol2015
25826363Computational solvent mapping in structure-based drug design.Future Med Chem2015
25855957The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins.Nat Protoc2015
26230724New Frontiers in Druggability.J Med Chem2015
26172070Structural and functional characterization of two unusual endonuclease III enzymes from Deinococcus radiodurans.J Struct Biol2015
26538314Lessons from Hot Spot Analysis for Fragment-Based Drug Discovery.Trends Pharmacol Sci2015
26538314Lessons from Hot Spot Analysis for Fragment-Based Drug Discovery.Trends Pharmacol Sci2015
26230724New Frontiers in Druggability.J Med Chem2015
26172070Structural and functional characterization of two unusual endonuclease III enzymes from Deinococcus radiodurans.J Struct Biol2015
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Collaborators

Dima Kozakov
Stony Brook University
Co-authored papers 32
Sandor Vajda
Boston University
Co-authored papers 32
Dmitri Beglov
Boston University
Co-authored papers 19
Tanggis Bohnuud
Amgen Inc.
Co-authored papers 7
Bing Xia
Xijing Hospital, The Fourth Military Medical University
Co-authored papers 7
David I Stuart
University of Oxford
Co-authored papers 7
Scott E Mottarella
Boston University
Co-authored papers 5
Lingqi Luo
Co-authored papers 3
Gwo-Yu Chuang
Co-authored papers 3
Dzmitry Padhorny
Co-authored papers 3
Julian C Knight
University of Oxford
Co-authored papers 3
Mark A Williams
Harwell Science & Innovation Campus
Co-authored papers 3
Zhiping Weng
University of Massachusetts Medical School
Co-authored papers 2
Alexandre M J J Bonvin
Bijvoet Center for Biomolecular Research, Utrecht University
Co-authored papers 2
Miguel Romero-Durana
Pontificia Universidad Javeriana
Co-authored papers 2
Sameer Velankar
European Bioinformatics Institute
Co-authored papers 2
Chiara Pallara
Co-authored papers 2
Sheng-You Huang
Huazhong University of Science and Technology
Co-authored papers 2
Huan-Xiang Zhou
University of Illinois Chicago
Co-authored papers 2
Daisuke Kihara
Purdue University
Co-authored papers 2
Petr Popov
Skolkovo Institute of Science and Technology
Co-authored papers 2
Brian G Pierce
University of Maryland Institute for Bioscience and Biotechnology Research
Co-authored papers 2
Xiaoqin Zou
Dalton Cardiovascular Research Center, University of Missouri
Co-authored papers 2
Thom Vreven
Visterra Inc.
Co-authored papers 2
Brian Jim??nez-Garc??a
Utrecht University
Co-authored papers 2
Iain H Moal
GSK Medicines Research Centre
Co-authored papers 2
Artem B Mamonov
MGH/Harvard Medical School
Co-authored papers 2
Panagiotis L Kastritis
Interdisciplinary Research Center HALOmem, Martin Luther University Halle-Wittenberg
Co-authored papers 2
Shoshana J Wodak
VIB-VUB Center for Structural Biology
Co-authored papers 2
Ora Schueler-Furman
Co-authored papers 2
Release 1.2