首页|Of problems and opportunities—How to treat and how to not treat crystallographic fragment screening data

Of problems and opportunities—How to treat and how to not treat crystallographic fragment screening data

扫码查看
原文链接
  • NSTL
Abstract In their recent commentary in Protein Science, Jaskolski et al. analyzed three randomly picked diffraction data sets from fragment‐screening group depositions from the PDB and, based on that, they claimed that such data are principally problematic. We demonstrate here that if such data are treated properly, none of the proclaimed criticisms persist.

compositional heterogeneityconformational heterogeneityfragment‐screeninggroup depositionslow‐occupancy ligandsPanDDA

Manfred S. Weiss、Jan Wollenhaupt、Galen J. Correy、James S. Fraser、Andreas Heine、Gerhard Klebe、Tobias Krojer、Marjolein Thunissen、Nicholas M. Pearce

展开 >

Macromolecular Crystallography,Helmholtz‐Zentrum Berlin

Department of Bioengineering and Therapeutic Sciences,University of California San Francisco

Institute of Pharmaceutical Chemistry,Philipps University Marburg

MAX IV Laboratory,Lund University

Department of Chemistry and Pharmaceutical Sciences,VU Amsterdam

展开 >

2022

10.1002/pro.4391

Protein science :

Protein science :

ISSN：0961-8368
年,卷(期)：2022.31(9)
  • 1
  • 18