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Search results (227)

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A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.

MacDermott-Opeskin H. et al, (2026), J Chem Inf Model

Water Networks as Hydrophobic Recognition Motifs in Proteins.

Piticchio SG. et al, (2026), Angew Chem Int Ed Engl, 65

Water Networks as Hydrophobic Recognition Motifs in Proteins

Piticchio SG. et al, (2026), Angewandte Chemie, 138

Covalently constrained 'Di-Gembodies' enable parallel structure solutions by cryo-EM.

Yi G. et al, (2026), Nat Chem Biol, 22, 69 - 76

Gluebodies Offer a Route To Improve Crystal Reliability and Diversity through Transferable Nanobody Mutations That Introduce Constitutive Close Contacts.

Ye M. et al, (2025), ACS Cent Sci, 11, 2385 - 2399

Structure-activity relationships can be directly extracted from high-throughput crystallographic evaluation of fragment elaborations in crude reaction mixtures.

Grosjean H. et al, (2025), Chem Sci

Combined crystallographic fragment screening and deep mutational scanning enable discovery of Zika virus NS2B-NS3 protease inhibitors.

Ni X. et al, (2025), Nat Commun, 16

Syndirella: Synthesis-directed fragment elaboration enables extensive binding site exploration beyond catalog compounds

Fieseler KK. et al, (2025)

Syndirella: Synthesis-directed fragment elaboration enables extensive binding site exploration beyond catalog compounds

Fieseler KK. et al, (2025)

High-throughput crystallographic fragment screening of Zika virus NS3 Helicase.

Godoy AS. et al, (2025)

A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data

MacDermott-Opeskin H. et al, (2025)

Crystallographic Fragment Screening of the Dengue Virus Polymerase Reveals Multiple Binding Sites for the Development of Non-nucleoside Antiflavivirals.

Saini M. et al, (2025), J Med Chem, 68, 18356 - 18369

A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data

MacDermott-Opeskin H. et al, (2025)

A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data

MacDermott-Opeskin H. et al, (2025)

A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data

MacDermott-Opeskin H. et al, (2025)

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