ADL: Fwd: FLEXIBLE RESIDUES

Bennion, Brian bennion1 at llnl.gov
Mon May 11 19:45:59 PDT 2020


You might as well run Molecular dynamics simulations and Dock to those structures. It will be much faster than having autodock do it for you.
Brian


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On May 11, 2020 at 6:51:18 PM PDT, Anil Bhattarai <alcheyanil at hotmail.com> wrote:
AutoDock favors only rigid docking.
with thanks
________________________________
From: autodock-bounces at scripps.edu <autodock-bounces at scripps.edu> on behalf of Akash Deep BISWAS <akash.biswas at sns.it>
Sent: Tuesday, May 12, 2020 12:12 AM
To: autodock at scripps.edu <autodock at scripps.edu>
Subject: ADL: Fwd: FLEXIBLE RESIDUES

Dear all,

I hope everything is well with you in this Pandemic. I am a last year PhD
scholar from Scuola Normale Superiore di Pisa. I would highly appreciate it
if you can help me by helping me understand if it is possible to make the
whole protein flexible (receptor) and perform the docking.

Thanks in advance
Akash
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