In today's episode I introduce one of the ways we can use computers in order to discovery new drugs. For that I talk about the necessity of multidisciplinary research between structural bioinformatics, high performance computing, and computational drug discovery, just to name a few. Next I explain the Virtual Screening (VS) technique idea and how it is divided into SBVS and LBVS. Focusing in SBVS I explain what a molecular docking simulation is and how a database is processed using it to prioritise compounds for experimental testing. Nevertheless molecular docking can be vastly improved with the Blind Docking (BD) technique and implementation we have developed in our group, BIO-HPC at UCAM, and which is called Achilles Blind Docking server:

https://bio-hpc.ucam.edu/achilles/

this technique is also implemented in our GPU software METADOCK 2:

https://academic.oup.com/bioinformatics/article-abstract/37/11/1515/5711286?redirectedFrom=fulltext

and here I mention two key publications that have used our BD technique:

https://www.science.org/doi/10.1126/sciadv.aba6617

https://www.nature.com/articles/s41589-019-0278-6

And last but not least, you can continue discussion in our Telegram group:

https://t.me/researching_research

This is the first episode about research grants in which I introduce what research grants are and how are grant calls usually structured. I talked about:

If you want to get more information about all these steps or are interested on my research consultancy services, you can contact me at horacio (at) horacio-ps.com or:

https://horacio-ps.com/en/principal-english/

Finally, you can engage in further discussions about the podcast episodes in our public Telegram group with other users at:

https://t.me/researching_research 

Thanks for listening!

In this episode I was recently interviewed by Eva Lantsoght and Rico Massa in their podcast PhD Talk:

https://www.evalantsoght.com/podcast.html

where we talked about:

You can contact me at horacio (at) horacio-ps.com 

and you can engage in further discussions about the podcast episodes in our public Telegram group at:

https://t.me/researching_research 

Thanks for listening! 

First and introductory episode of the podcast in which I briefly explain what the podcast is about and what I think you can expect from it, how it will be recorded, produced and organised, and how to you can give feedback and engage in further discussions.