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 138

Targeted Protein Degradation Small Molecule Computational Chemistry Bioinformatics 138

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. Drug Hunter Premium is drug discovery, distilled, so you can quickly catch up and make informed decisions based on industry examples.

Targeted Protein Degradation 130

Targeted Protein Degradation Computational Chemistry Trials Licensing 130

Drug Target Review

SEPTEMBER 20, 2023

“AI will not replace drug discovery scientists, but drug discovery scientists who use AI will replace those who don’t” – comment during EFMC meeting 2018 Progressing a drug molecule from concept to commercialisation typically takes 10-15 years and has high associated costs of up to $2 billion per launched drug, if all failures are factored in.

Drugs 105

Drugs Metabolic Stability Computational Chemistry Pharmaceuticals 105

Nvidia Developer: Drug Discovery

JUNE 24, 2022

The field of drug discovery is at a fascinating inflection point. The field of drug discovery is at a fascinating inflection point. Eroom’s Law observes that drug discovery is becoming slower and more expensive over time, despite improvements in technology.

Drugs 52

Drugs Computational Chemistry FDA Approval Research 52

Dark Matter Blog

AUGUST 31, 2020

The majority of small molecule drugs induce their therapeutic effects by seeking out and binding to their intended target while avoiding most other molecules in the dense milieu of the cell interior. To this end, we selected a known rSM-RNA system, Aptamer 21, which possessed several attractive features.

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 ]. My view of thermodynamic signature characterization in drug discovery is that it’s, in essence, a solution that’s desperately seeking a problem.

Fragment Screening 40

Fragment Screening Computational Chemistry Engineering Drugs 40

Molecular Design

SEPTEMBER 27, 2023

The five days spent discussing computer-aided drug design (CADD) in Vermont are what I’ll be covering in this post and I think it’s worth saying something about what drugs need to do in order to function safely. It is indeed a small world.

Computational Chemistry 90

Computational Chemistry Drugs Laboratories Production 90