#Tools
#Bioinformatics

Autodock CrankPep

an AutoDock docking engine specialized for docking peptides. It combines technology form the protein folding filed with an efficient representation of a rigid receptor as affinity grids to fold the peptide in the context of the energy landscape created by the receptor. A Monte-Carlo search is used to fold the peptide while concurrently optimizing the interaction between the peptide and the receptor molecule, yielding docked peptides. The program can dock peptides provides as 3D structures in PDB files or from a sequence string. It has been show to successfully re-dock peptides with up to 20 amino acids in length.

Link:https://ccsb.scripps.edu/adcp/

Collection of computational Approaches and "Free" Resources to Assist Drug Discovery, Chemical Biology & Precision Medicine

Tools list: http://www.vls3d.com/links/51-shortlist

Src: http://www.vls3d.com/

#Tools
#DrugDiscovery
#Bioinformatics
#Cheminformatics
#StructureBioinformatics

channel: @llbschool

#bioinformatics #tools

https://youtu.be/eHgKthSkqiA

@letslearnbioinformwtics

#tools #cheminformatics

Using GraphINVENT to generate novel DRD2 actives

Recently, we in the Molecular AI (MAI) team at AstraZeneca published GraphINVENT, a platform for graph-based molecular generation using graph neural networks (GNNs). GraphINVENT uses a tiered deep neural network architecture to probabilistically generate new molecules a single bond at a time and runs on a CUDA-enabled GPU.

In this blog post we would like to introduce how GraphINVENT learns to build molecules resembling a training set of molecules, without any explicit programming of chemical rules.

Visit the blog for more details:
http://www.cheminformania.com/using-graphinvent-to-generate-novel-drd2-actives/

@letslearnbioinformatics

#tools #RNA

🛠 tncRNA Toolkit
It is a pipeline, designed for convenient identification of tncRNAs. It identifies the tncRNAs using small RNA sequencing datasets. It also provides detailed information related to each tncRNA entry viz. tncRNA type, tRNA information, position on tRNA, strand, sequence, length, read count, RPM and modification site.
👩‍🏫 The workflow, software package, and results are freely available at http://14.139.61.8/tncRNA/

tncRNA Toolkit Features
🔅 Identification of tncRNA
🔅 tncRNAs attributes
🔅 tncRNA Alignment
Prerequisites to work
• python3, tRNAscan-SE , samtools, bedtools, Bowtie1, HAMR 
📁 Toolkit workflow
http://14.139.61.8/tncRNA/manual.php
👤 Dr. Shailesh kumar , DBT NIPGR

📢_________
@llbschool @letslearnbio
@letslearnbioinformatics

#bioinformatics #workshop #tools

Free VEuPathDB bioinformatics workshop - Dec. 13-16, 2021 (9AM-1PM US Eastern). 
🗓 Preliminary schedule
https://t.co/PJb2ZZli72
✍🏽 Register by Dec. 6th
https://t.co/tcEm279Wcu

You will learn about :
• VEuPathDB basics: site search, gene pages and strategies
• Advanced VEuPathDB concepts
• Analyzing your own data

📢__________
@llbschool @letslearnbio
@letslearnbioinformatics

#resource #tools #science #comunications

Five websites for creating scientific figures

- https://reactome.org/icon-lib
- https://biorender.com/
- https://thenounproject.com/
- https://bioicons.com/
- https://healthicons.org/

📢«««««««
Channel @llbschool

🔬 Exploring Bioinformatics? Here's a curated list of some essential open-source tools that every bioinformatics enthusiast should explore.

Whether you're a beginner or an industry expert, these tools are fundamental in various areas of bioinformatics.

ℹ️ For anyone diving into #Bioinformatics, these tools are game-changers. Which ones do you regularly use or find the most useful? Let's discuss! 💬 #Science #Genomics #Tools #DataAnalysis

📢________________
channel @llbschool

🚀 Key Bioinformatics Tools Launched in 2024 🚀

As we wrap up 2024, it’s exciting to see the incredible bioinformatics tools that have made a significant impact this year. From advancements in protein design to AI-powered drug discovery, these innovations are pushing the boundaries of research and healthcare. 🌍

Here are some of the standout tools from 2024:
1️⃣ FireProt 2.0 – Automated Thermostable Protein Design
2️⃣ MoDAFold – Predicting Missense Mutant Protein Structures
3️⃣ VirGrapher – Virus Identification in Metagenomic Sequences
.
.
and more.

Want to dive deeper into these tools and their impact on the field of bioinformatics?
👉 Head over to post for more details!

#bioinformatics #tools

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