Is it imperative to perform molecular dynamics simulations on the ab-initio modeled protein, prior to property calculation?
Is IF a real descriptor to evaluate the quality of a journal or is it a mean to attract people living in fools paradise?
05 June 2018 2,896 10 View
How much reliable is the ab-initio modeling of the proteins for the property calculations?
08 September 2017 8,863 8 View
If we encounter a situation, where one can construct a pharmacophore model via multiple-complex based as well as via Molecular dynamics based. What is the best way to proceed further and which one...
31 December 2016 2,581 10 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...
03 March 2021 5,978 5 View
Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...
02 March 2021 2,431 3 View
Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...
02 March 2021 4,910 3 View
Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...
02 March 2021 4,569 4 View