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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), Journal of Chemical Information and Modeling

Water Networks as Hydrophobic Recognition Motifs in Proteins

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

Water Networks as Hydrophobic Recognition Motifs in Proteins

Piticchio SG. et al, (2026), Angewandte Chemie International Edition, 65

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

Grosjean H. et al, (2026), Chemical Science, 17, 4571 - 4593

Covalently constrained ‘Di-Gembodies’ enable parallel structure solutions by cryo-EM

Yi G. et al, (2026), Nature Chemical Biology, 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 Central Science, 11, 2385 - 2399

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

Ni X. et al, (2025), Nature communications, 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)

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

MacDermott-Opeskin H. 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), Journal of medicinal chemistry, 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)

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