From owner-chemistry@ccl.net Tue Jun 25 13:18:01 2024 From: "Aydin Manzouri aydin.manzouri ~~ gmail.com" To: CCL Subject: CCL: AlphaFold 3 vs AutoDock Vina Message-Id: <-55175-240625063400-10461-0FoYjQPENpbYaMqwcRt87w[#]server.ccl.net> X-Original-From: Aydin Manzouri Content-Type: multipart/alternative; boundary="000000000000ff14be061bb46e6e" Date: Tue, 25 Jun 2024 14:03:39 +0330 MIME-Version: 1.0 Sent to CCL by: Aydin Manzouri [aydin.manzouri++gmail.com] --000000000000ff14be061bb46e6e Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable Truly insightful. Thanks a lot. On Tue, Jun 25, 2024 at 1:59=E2=80=AFAM Oleg Trott trott[-]caa.columbia.edu= < owner-chemistry+/-ccl.net> wrote: > > Sent to CCL by: "Oleg Trott" [trott-$-caa.columbia.edu] > Hello, everyone! > > DeepMind's new AlphaFold 3 attempts to predict protein-ligand binding, an= d > their publication compares it to AutoDock Vina (which I built). But their > methodology seems strange. > > I wrote up my comments in a blog post. If you have an interest in AI > and/or > docking, I hope you'll find it insightful. > > https://olegtrott.substack.com/p/are-alphafolds-new-results-a-miracle > > > > -=3D This is automatically added to each message by the mailing script = =3D-> > > --000000000000ff14be061bb46e6e Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Truly insightful. Thanks a lot.

On Tue, Jun 25, 2024 at 1:5= 9=E2=80=AFAM Oleg Trott trott[-]caa.col= umbia.edu <owner-chemistr= y+/-ccl.net> wrote:

Sent to CCL by: "Oleg=C2=A0 Trott" [trott-$-caa.columbia.edu] Hello, everyone!

DeepMind's new AlphaFold 3 attempts to predict protein-ligand binding, = and
their publication compares it to AutoDock Vina (which I built). But their <= br> methodology seems strange.

I wrote up my comments in a blog post. If you have an interest in AI and/or=
docking, I hope you'll find it insightful.

https://olegtrott.substack.com/= p/are-alphafolds-new-results-a-miracle



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