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Questions related from Marco Carnaroli
Hello everyone. I'm currently facing the following problem: I'm doing with Amber MD simulations on a protein that has metals ions (zinc and copper) in it to perform its biological activity and to...
25 August 2024 1,764 5 View
Hello, I performed with Amber three replicas of a 1200 ns MD simulation on a protein dimer (wild type one), using the exact same parameters (except for the random seed that changes the initial...
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Hello, I'm trying to create parameter and coordinate files for a drug (PRG-A01) found on the following page: http://www.probechem.com/products_PRG-A01.html I used the guide made by Michael...
18 July 2024 3,757 3 View
Hello. Currently I'm doing 300 ns MD simulations in Amber to look for differences between a wild type protein and mutated ones. In detail I have one wild type dimer and 7 mutated dimers. So I...
15 July 2024 3,512 11 View
Hello I need to perform a docking between some metal ions and a protein, in order to study the stability of that protein before and after the metalation. Which software can be used to achieve that...
09 May 2024 3,392 4 View
Hello, I'm quite new here. I'm just following a tutorial based on the folding Trp Cage Amber tutorial. When I try to do the minimization with the following code: pmemd -O -i 1min.in -o 1min.out...
09 May 2024 7,749 2 View