Here you will find computational chemistry and bioinformatics videos. Sometimes linux and coding videos that are related to bioinformatics projects. I'm a huge nerd, finding my way in the data science world and in the pharma industry after 5 years in the academia, doing my PhD.
If you want to buy me a cup of coffee, here is a great opportunity :D ko-fi.com/scienceaddicted
Loved this tips and tricks. I am an undergraduate student and I really want to take this up in my Masters or PhD projects! Could you just give me a roadmap for beginners int his field so that I can apply it when I go for research projects
I recommend checking out review papers (you can use google scholar searching platform) on the topics you are interested. You can find the most recent/most relevant papers and state of the art on the field
Hello, I'm a Chemical Engineer, however I do want to enter into this subject on Msc and Doctorate/PhD further. How can I find a specific Msc program to start researching and working? I do have already knowledge about python machine learning and data analysis libraries (numpy, scikitlearn and so on). Thank you.
How do I can get this materials or in other words can I use your vido for my presentation What I mean is that to aware the students from this technology
Hey there! What's your name? I am using your video for my undergrad presentation (with credits) and I'd like to cite your name and educational background =) Thank you
Hello Ursula! That is amazing, thank you! Also happy that i was able to help in any way. Please email me at Science.addicted at gmail and i'm happy to provide details
I work in IT but My academic bachelor in chemistry. . I have python, bash, shell scripting skill. I want to start working in computational chemistry. Please advise where to start ?
I would recommend checking out LinkedIn. Search for computational chemistry jobs, or persons with computational chemistry title. Follow all companies that are operating in this field. Eventually they will have jobs posted. Don't miss on bioinformatics. Genetics is a really hot field and companies are looking for candidates with mixed knowledge and experience
@@scienceaddicted3431 thanks for the advice. I would rather want to know the basics. I want to take some crash course about computational chemistry or create hypothesis on my own. But I don’t know where to start as I am in mid 40’s and it was a 12 years back last I touched chem/ physis book. I work in IT make 6 figure. But TBH I am far away from my successful career that Satisfies me end of the day. 😀.
@Zack Well that is an interesting approach. You can always search through udemy for some courses, or khan academy also has some good theoretical courses on RU-vid. Once you get the bases, you can check some recent review articles in the domain. For this i recommend google.scholar.com review articles will have the state of the art and the most current issues that can inspire you if you will want to get into any side projects
Hi! I'm afraid that answering your question thoroughly is out of my domain of expertise, but you can certainly give it a try. Computational chemistry is really an easily approachable and very diverse domain, so you can find a nice that suits you.
@@scienceaddicted3431 Hello sir I have completed PG( organic chemistry), please tell me some chemistry related IT courses. I don't have certain information. I have to know about it Hope you help me. Thank you
U explaination tips provided help for me in studying molecular docking for my research. It made me help to get a perfect plan to go on with. Please update with some more videos. Best brieffffff explanation
Hi ..can u answer me few confusion.. I took protein id from pdb database but it in their is no Ligand present in it.. How we know to docked particular ligand with protein.. Please get me out of confusion...
Hi! You can check multiple structures in pdb, to see if there is any with ligand included. There is an Advanced Search option, where you can filter and refine your search. In case you don't know the binding site on a protein, there is a docking technique called blind docking, where you can search and scan for binding sites on the entire surface of a protein.
It is very useful content. Keep on. I hope to be professional in ligand docking on the MOE program as a drug discovery scope. If there are any courses in this scope you are present it, please let me know. I hope to connect with you.
Hello! Thanks for your comment. I wish you to become the professional on the MOE and many other comp chem programs. It takes time, but anything is possible if you invest time and effort.
Hello, thanks for watching! indeed, fortran has/had a huge impact in the development of modern computational chemistry, but I have not included it to this topic, because I would not recommend it to someone who is just starting out whit programming. Although, now that I'm thinking about it, maybe I should have mentioned it in the section together with C and C++, but it's an opportunity I missed. Maybe next time :)!
@@scienceaddicted3431 Hello, we have to know that all the basic programs in computational chemistry and computational materials science are written in Fortran and few of them are written in C or C ++, but the linking between these programs is done with scripting languages like python, tcl / tk, perl and Linux Shell scripts like Bash or C Shell. FORTRAN,C and C ++ are compiled languages and they are made to perform calculations, While that scripting languages are too slow to do calculations. So if we plan to do deep computational chemistry, we have to learn FORTRAN, C or C ++, but if we want to do simple calculations or link between different programs, scripting languages are enough. Thank you.
RDkit is a useful tool. It is widely used especially in molecular descriptor prediction and calculation. I do plan to make a tutorial on it in the future. Thanks for watching!
I really like this series of videos with the limitations, we are often aware of the chemical properties that they derive from, but not quite a direct application as such.
Thanks! Glad to hear you appreciate hearing about the limitations. I saw many tutorials talking about how to do docking from start to finish, but not many will talk about the practical pitfalls and limitations to watch out for. Let me know if you have other ideas to continue the series.
