Drug Target Review

APRIL 7, 2025

PoLiPa detergent-free stabilisation of membrane proteins enables the application of fragment-based screening to GPCRs, expanding the methods possible targets and opening the potential to develop novel therapeutics agents as a result. The Adenosine A2a receptor was expressed in insect cells using a baculoviral expression system.

Fragment Screening 52

Fragment Screening Drugs Small Molecule Biophysical Assays 52

Drug Target Review

NOVEMBER 1, 2023

In terms of compound libraries, we have a high-throughput screening library of about 200,000 ligands. For fragment screening, which are much smaller compounds, we have a library of about 3000 fragments. We can screen with many different formats and modalities.

Fragment Screening 96

Fragment Screening Biochemical Assays Small Molecule Biophysical Assays 96

Practical Cheminformatics

OCTOBER 8, 2024

Testing Claude’s Molecule Generation Ability To test the molecule generation ability of Claude, a general-purpose LLM from Anthropic, I prompted it to generate analogs for hits from fragment screens. These fragment hits are small molecules with between 11 and 21 heavy atoms. Of course, this is ridiculous.

Fragment Screening 130

Fragment Screening Packaging Organic Chemistry Small Molecule 130

Practical Cheminformatics

AUGUST 21, 2021

Multiple Comparisons, Non-Parametric Statistics, and Post-Hoc Tests Some Thoughts on Evaluating Predictive Models Getting a Job How to (Not) Get a Job in Science How (Not) to Get a Job in Science - Part 2 - The Interview Philosophical Musings Where's the code?

Fragment Screening 40

Fragment Screening Science Drugs 40

Sygnature Discovery

JUNE 17, 2024

Our skilled protein science team can provide in-house production of proteins to support all these assay formats if needed. Sygnature’s protein science team provides protein-observed NMR services, enabling the determination of binding site locations and structural analysis, among other techniques.

Small Molecule 52

Small Molecule Fragment Screening DNA Science 52

Molecular Design

AUGUST 2, 2020

Paramin panorama Crystallographic fragment screens have been run recently against the main protease (at Diamond ) and the Nsp3 macrodomain (at UCSF and Diamond ) of SARS-Cov-2 and I thought that it might be of interest to take a closer look at why we screen fragments.

Fragment Screening 40

Fragment Screening Computational Chemistry Engineering Drugs 40

PerkinElmer

JUNE 3, 2022

The second virtual screen focused on optimization of a hit from a previous crystallographic fragment screen. Fragment-to-lead optimization was guided by searches in a library of millions of compounds combined with docking screens to select the best candidate. 2021;374(6575):1586-1593. Clinicaltrials.gov.

Fragment Screening 52

Fragment Screening Clinical Trials Vaccine Pharmacokinetics 52