Author Topic: Chemoinformatics and computational chemistry  (Read 63 times)

n.snostorm

  • Larvae
  • *
  • Posts: 7
Chemoinformatics and computational chemistry
« on: September 03, 2011, 08:16:13 PM »
Anyone here interested/researches chemoinformatics or computational chemistry?

Enkidu

  • Global Moderator
  • Foundress Queen
  • *****
  • Posts: 677
Re: Chemoinformatics and computational chemistry
« Reply #1 on: September 03, 2011, 08:22:52 PM »
I do.

java

  • Global Moderator
  • Foundress Queen
  • *****
  • Posts: 783
Re: Chemoinformatics and computational chemistry
« Reply #2 on: September 03, 2011, 11:30:30 PM »
.
Quote
Anyone here interested/researches Chemoinformatics and/or computational chemistry


yes, but ...what do you have in mind?
¡Prefiero morir de pie que vivir siempre arrodillado!.Emiliano ZapataIt is better to die on your feet than to live on your knees!.......

hypnos

  • Dominant Queen
  • ****
  • Posts: 402
Re: Chemoinformatics and computational chemistry
« Reply #3 on: September 20, 2011, 12:44:06 AM »
 Have you guys heard of a Game created in 2008 at Washington University, called "Foldit?"

It is a 'fun for purpose" online video game  which was developed to help scientists work out tthe structure of a monomeric protesase enzyme, which they had trouble with "viewing" the structure of the molecule,

   Foldit is a team based online game in which, teams of gamers compete to see, which of the 'competing groups'trying to "unfoldchains of amino acids, too see which teams can do it fastest,using the Tools provided by this program.

 The problem was that under EM the image of these nolecules,  looks somewhat like a piece of tangled spaghetti, as as many here will comprehend the significance of understanding these Very little pieces, which need some "3-D action" to be "seen and understood, and pharmacologists had been having a very hard time working on this problem.

      so this is where the gamers come into it

  Lo an behold!!! IN just THREE WEEKS the gamers "produced an accurate model of the retrovirus  enzyme,

 REsolving a decade long scientific mystery--I'm sure many members will understand the relevance of doing so....

Also the gamers were named as "Co-authors," in THE peer reviewed paper IIRC in the journal

"Nature structural and molecular biology"
 
 Pretty damn cool if you ask me.... :o 8)

Hyppy 

Nb. could Vesp Enkidu OR Sedit PLEASE pm me and explain what I have done, my apologies to the community if i have caused ANY offence,to (almost) ANY of them, or if I have in any way DEgraded this forum by my presence

 I have had a Very tough year, although I do not offer this as an "excuse" rather an explanation 

 and you are More than welcome to enquire about via PM.............???

Hope you're all doing fine

Peace love and happy "Dreams" ;)

Hyppy 8)  but ???
"the two things you can give away and never lose, are what you know, and how you feel...."

n.snostorm

  • Larvae
  • *
  • Posts: 7
Re: Chemoinformatics and computational chemistry
« Reply #4 on: September 21, 2011, 10:19:46 AM »
.
Quote
Anyone here interested/researches Chemoinformatics and/or computational chemistry

yes, but ...what do you have in mind?

Nothing in particular yet, just interested. Somehow compchem online community is less vibrant and less active in exchange of ideas and problems than other fields of chemistry.