Promiscuity
Fragment-Based Drug Discovery & Molecular Design,
I’ll be discussing promiscuity in this post and, if there’s one thing that religious leaders and drug discovery scientists…
I’ll be discussing promiscuity in this post and, if there’s one thing that religious leaders and drug discovery scientists…
|I’ll be taking a look at some of the criteria, specifically structural alerts, by which chemical probes are assessed and here’s…
jcheminf.biomedcentral.com - Ligand efficiency is a widely used design parameter in drug discovery. It is calculated by scaling…
Paramin panoramaCrystallographic fragment screens have been run recently against the main protease (at Diamond) and the Nsp3…
I’ll be taking a look at machine learning (ML) in this post which was prompted by AI in Drug Discovery - A Practical View From…
Today I'll take a look at a JMC Perspective on design principles for fragment libraries that is intended to provide advice for…
A recent Curious Wavefunction post (The fundamental philosophical dilemma of chemistry) got me thinking a bit. Ash notes, “For…
A new year and a new title for the blog which will now just be ‘Molecular Design’. I have a number of reasons for dropping…
This post got prompted by a survey of screening library size by Teddy at Practical Fragments. I commented briefly there but it…
I should start this post by saying that I’ve never actually used the Rule of Three for fragment selection. Part of the reason…
<< previous || next >>I am currently in Rapa Nui (aka Easter Island) and it seemed fitting to continue the series on compound…
<< previous || next >>I’m guessing that this may be the first blog post on screening library design to be written in Tierra del…
Our friends over at FBDD-Literature have already highlighted this, but it bears repeating that the entire August issue of J.
The first law of computing (garbage in, garbage out) applies equally well to screening fragments. Selection of compounds for…
The first law of computation (garbage in, garbage out) applies equally well to FBDD. These articles discuss the selection of…