Practical Cheminformatics

JANUARY 16, 2024

Following up on Part I and Part II, the third post in this series is a collection of review articles published in 2023 that I found helpful.

Targeted Protein Degradation 139

Targeted Protein Degradation Small Molecule Computational Chemistry Bioinformatics 139

Drug Hunter

JUNE 25, 2023

This article highlights million-dollar molecules that were recently in the news with related patent applications that give clues to their structures and properties. Oral Allosteric AR Modulator s request a trial You don’t have time to read everything, but you can’t afford to fall behind.

Targeted Protein Degradation 130

Targeted Protein Degradation Computational Chemistry Trials Licensing 130

Drug Target Review

SEPTEMBER 20, 2023

From 2005 to 2008 he carried out a DPhil (PhD) at Oxford on nanomaterials for quantum computation, followed by postdoctoral work on the prediction of crystal structures at University College London. Matthew subsequently put his computational chemistry skills to use in the defence sector. Matthew is a chartered chemist.

Drugs 105

Drugs Metabolic Stability Computational Chemistry Pharmaceuticals 105

Molecular Design

SEPTEMBER 27, 2023

Drug design is often said to be multi-objective in nature although the objectives are perhaps not as numerous as many believe (this point is discussed in the introduction section of NoLE , an article that I'd recommend to insomniacs everywhere).

Computational Chemistry 90

Computational Chemistry Drugs Laboratories Production 90

Dark Matter Blog

AUGUST 31, 2020

Today, we are pleased to announce that our article describing one such platform: “ PEARL-seq, A Photoaffinity Platform for the Analysis of Small Molecule-RNA Interactions ” was published in ACS Chemical Biology. Our expedition gains altitude After that initial result, it was all hands on deck.

RNA 52

RNA Small Molecule Bioinformatics Computational Chemistry 52

Molecular Design

AUGUST 2, 2020

Fragment-based lead discovery (FBLD) actually has origins in both crystallography [ V1992 | A1996 ] and computational chemistry [ M1991 | B1992 | E1994 ]. I’ll point you toward an article which asserts that, “when compared with many traditional druglike compounds, fragments bind more enthalpically to their protein targets”.

Fragment Screening 40

Fragment Screening Computational Chemistry Engineering Drugs 40

Nvidia Developer: Drug Discovery

JUNE 24, 2022

A recent article examining the transformational role of GPU computing and deep learning in drug discovery is showing hope that this trend may soon reverse. The physics of the problem are understood and calculable, yet quantum mechanical calculations are far too expensive and time consuming.

Drugs 52

Drugs Computational Chemistry FDA Approval Research 52