Molecular replacement for small-molecule crystal structure determination from X-ray and electron diffraction data with reduced resolution

Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED

(2023) Logan S. Richards et al.   ACS Bio & Med Chem Au

AlphaFold and the future of structural biology

(2023) Randy J. Read et al.   IUCrJ

Regio‐ and Stereoselective Epoxidation and Acidic Epoxide Opening of Antibacterial and Antiplasmodial Chlorotonils Yield Highly Potent Derivatives

(2022) Rolf Müller et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Highly accurate protein structure prediction with AlphaFold

(2021) John Jumper et al.   NATURE

Prospecting for natural products by genome mining and microcrystal electron diffraction

(2021) Lee Joon Kim et al.   Nature Chemical Biology

Indomethacin Polymorph δ Revealed To Be Two Plastically Bendable Crystal Forms by 3D Electron Diffraction: Correcting a 47‐Year‐Old Misunderstanding**

(2021) Molly Lightowler et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structure determination, thermal stability and dissolution rate of δ-indomethacin

(2021) Iryna Andrusenko et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Small-molecule-induced polymerization triggers degradation of BCL6

(2020) Mikołaj Słabicki et al.   NATURE

Electron diffraction determines molecular absolute configuration in a pharmaceutical nanocrystal

(2019) Petr Brázda et al.   SCIENCE

Specifics of the data processing of precession electron diffraction tomography data and their implementation in the program PETS2.0

(2019) Lukáš Palatinus et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

3D Electron Diffraction: The Nanocrystallography Revolution

(2019) Mauro Gemmi et al.   ACS Central Science

On the application of the expected log-likelihood gain to decision making in molecular replacement

(2018) Robert D. Oeffner et al.   Acta Crystallographica Section D-Structural Biology

TOPAS and TOPAS-Academic: an optimization program integrating computer algebra and crystallographic objects written in C++

(2018) Alan A. Coelho   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Ab initio solution of macromolecular crystal structures without direct methods

(2017) Airlie J. McCoy et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Hydrogen positions in single nanocrystals revealed by electron diffraction

(2017) L. Palatinus et al.   SCIENCE

Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6

(2017) Nina Kerres et al.   Cell Reports

Status of the crystallography beamlines at PETRA III

(2016) Anja Burkhardt et al.   European Physical Journal Plus

A log-likelihood-gain intensity target for crystallographic phasing that accounts for experimental error

(2016) Randy J. Read et al.   Acta Crystallographica Section D-Structural Biology

Two of a Kind—The Biosynthetic Pathways of Chlorotonil and Anthracimycin

(2015) Katrin Jungmann et al.   ACS Chemical Biology

Construction of a New Class of Tetracycline Lead Structures with Potent Antibacterial Activity through Biosynthetic Engineering

(2015) Urška Lešnik et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

Macromolecularab initiophasing enforcing secondary and tertiary structure

(2015) Claudia Millán et al.   IUCrJ

Crystal structure determination and refinementviaSIR2014

(2015) Maria Cristina Burla et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Experiences with applications of macromolecular tools in supramolecular crystallography

(2014) Michał Wierzbicki et al.   CRYSTENGCOMM

High-resolution structure determination by continuous-rotation data collection in MicroED

(2014) Brent L Nannenga et al.   NATURE METHODS

How good are my data and what is the resolution?

(2013) Philip R. Evans et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

A Medipix quantum area detector allows rotation electron diffraction data collection from submicrometre three-dimensional protein crystals

(2013) Igor Nederlof et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Data processing and analysis with theautoPROCtoolbox

(2011) Clemens Vonrhein et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

XDS

(2010) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

OLEX2: a complete structure solution, refinement and analysis program

(2009) Oleg V. Dolomanov et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Macromolecular Modeling with Rosetta

(2008) Rhiju Das et al.   Annual Review of Biochemistry

Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis

(2008) Ken A. Brameld et al.   Journal of Chemical Information and Modeling