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    • #13165
      rendev01
      Participant

      Hi

      I would like to know is there any software or model out there that could simulate or predict the receptor-ligand binding events? Assuming I’ve functionalized a surface with a million receptor molecules and I exposed the surface to a few thousands target molecules. How would the target molecules binds to the receptor? Would each of the target molecule randomly pick a receptor and bind to it or would they follow a certain pattern?

      Thanks in advance.

      Cheers

    • #99160
      JackBean
      Participant

      Of course, they would bind in accordance to some affinity and of course, if they didn’t fit the binding site, they couldn’t bind at all 😉

      One member here did post several databases, so try to look for it. I think in Bioinformatics. Otherwise you had to use physical chemistry, modeling and entropy calculations

    • #99200
      rendev01
      Participant

      Thanks for the reply. I appreciate it a lot.

      The affinity gives me the knowledge of the binding strength of the molecule but I’m wondering whether the target molecules will bind with a uniformly distributed coverage on the surface?

    • #99207
      JackBean
      Participant

      if you had the same receptors and the same concentration all around, than yes

    • #99301
      mith
      Participant

      if it’s just a diffusion process, it’s hard to see why they would have any pattern.

    • #99466
      Kristenmickel
      Participant

      Honestly I don’t understand what are talking about exactly..
      Could you be more specific regarding the topic?

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