[AMBER] Enforcing Chirality in DNA Simulations

From: Maciej Spiegel via AMBER <amber.ambermd.org>
Date: Thu, 10 Oct 2024 21:46:39 +0200

Hello,

I would like to check how chirality affects the binding between two DNA strands. How can I enforce a specific chirality? Should I reparametrize both the S and R conformers, or is it possible to handle this during the simulation?

Thank you.

Maciej Spiegel, MPharm PhD
assistant professor
.GitHub <https://farmaceut.github.io/>

Department of Organic Chemistry and Pharmaceutical Technology,
Faculty of Pharmacy, Wroclaw Medical University
Borowska 211A, 50-556 Wroclaw, Poland

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Received on Thu Oct 10 2024 - 13:00:02 PDT
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