Methods Mol Biol January 2018 PMID 27873247

Computer-Aided Drug Design Methods.

Wenbo Yu, Alexander D MacKerell

Mentions

9
Peak: 1 in Mar 2021
across 5 sources since Mar 2021

Extended reach

8,792
potential audience

Total likes

163

Video views

5,282

Mentions per month

Mar 2021 – Nov 2025

Where it's discussed

  • Bluesky2 posts
  • YouTube2 videos
  • Facebook2 posts
  • Blogs2 articles
  • X / Twitter1 posts

AI synopsis

What people are saying

The overall tones reflect strong support and interest, with posts mentioning tools like open-forcefield.org, referencing conferences, and highlighting experts like Prof. Rami Reddy. Words like 'important' and phrases such as 'be sure to check out' emphasize enthusiasm and recognition of the field’s impact, demonstrating meaningful engagement and acknowledgment of the publication’s relevance.

AgreementModerate agreement

Most discussions acknowledge the importance and relevance of computer-aided drug design, showing general consensus about its value.

InterestHigh interest

The posts demonstrate high curiosity and enthusiasm, especially regarding practical applications and recent events related to the topic.

EngagementModerate engagement

Participants reference specific researchers, events, and methodologies, indicating active participation and thoughtful consideration.

ImpactModerate impact

The discussions highlight the significance of these methods in scientific and medical fields, suggesting they could influence future research and clinical practices.

Abstract in brief

  • Computational approaches in drug design help scientists interpret experiments and speed up the development of antibiotics.
  • Structure-based drug design (SBDD) uses 3D models of target molecules like proteins or RNA to identify key binding sites and design drugs that can disrupt their function.
  • Ligand-based drug design (LBDD) relies on understanding the properties of known antibiotics to improve or create new drugs, based on their relationship between chemical features and biological activity.]

Top posts

Most liked on X and Bluesky
CUSB
@CUSBofficial · X

#NewsClips Prof. M. Rami Reddy, chairman of Rational Labs Inc., San Diego in California delivered a lecture at #CUSB on Computer-aided drug design methods @PMOIndia @dpradhanbjp @rashtrapatibhvn @ugc_india @AIUIndia @EduMinOfIndia @PIB_India @PIB_Patna https://t.co/mAgbzNzCHO

Nov 25, 2022 · 3 likes · 3,505 followers View post →
Jan Řezáč
@jrezac.bsky.social · Bluesky

A perspective on the importance (and the lack of) reliable benchmarks for structure-based computer-aided drug design methods - with a contribution of @adampecina.bsky.social from my group

Mar 10, 2025 · 2 likes View post →

All mentions

Cole Group
@colegroupncl.bsky.social · Bluesky

If you're at #ukqsar today, be sure to check out posters by @finlayclark.bsky.social, on work with @openforcefield.org, and @asmaferiel.bsky.social & @chikitng.bsky.social on computer-aided drug design methods! #compchem

Nov 13, 2025 · 1 like · 3 shares View post →
Jan Řezáč
@jrezac.bsky.social · Bluesky

A perspective on the importance (and the lack of) reliable benchmarks for structure-based computer-aided drug design methods - with a contribution of @adampecina.bsky.social from my group

Mar 10, 2025 · 2 likes View post →
CUSB
@CUSBofficial · X

#NewsClips Prof. M. Rami Reddy, chairman of Rational Labs Inc., San Diego in California delivered a lecture at #CUSB on Computer-aided drug design methods @PMOIndia @dpradhanbjp @rashtrapatibhvn @ugc_india @AIUIndia @EduMinOfIndia @PIB_India @PIB_Patna https://t.co/mAgbzNzCHO

Nov 25, 2022 · 3 likes · 3,505 followers View post →