Zulaikha Omar

2 Questions 2 Answers 0 Followers

Questions related from Zulaikha Omar

Does gaussian can use for QM/MM simulation? Is it same as ONIOM?

I'm working on the reaction of trivalent arsenic with tripeptide. I want to find the reaction mechanism or reaction pathway using QM/MM simulation. Before this I am trying QM/MM simulation using...

09 September 2015 2,442 1 View

How can I parameterize arsenic for simulation?

I am doing a molecular modeling of metal binding of arsenic with protein. My lecturer said that arsenic model is not in database. I have to create an arsenic model before i can parameterized it....

02 February 2015 6,347 3 View