In molecular docking we can perform Molecular dynamics. What are the potential uses and how to interpret results in Molecular dynamics.
Potential uses are in one word: anything. If you can imagine it, you can do it by MD.
I want to work towards decreasing side effects of a particular class of drugs. Can anyone guide me as to how this can be done.
09 October 2015 3,358 0 View
what does a subgenomic replicon assay mean? I came across this term in various papers but could not understand it. Can someone please explain its meaning in simple language.
07 August 2015 1,484 0 View
I have come across the term truncated N terminal various times in several papers. I want to know the importance of truncation and what it means. Why truncation is used.
07 August 2015 7,170 1 View
What does root mean square deviation(RMSD) mean. How is it useful wehile developing pharmacophore models and QSAR models?
07 August 2015 7,657 0 View
What is difference between HypoGen and HipHop which are modules for generation of Pharmacophore models? Which method should be used when. Advantages and disadvantages of each.
07 August 2015 8,630 0 View
In protein preparation why is restrained minimization in vacuum needed. What does convergence criteria for heavy atom RMSD mean. What is its importance. What happens if minimization is performed...
07 August 2015 451 0 View
what are tail anchored proteins
07 August 2015 1,280 0 View
With respect to interaction between a ligand and a protein what does a supramolecular interaction mean?
07 August 2015 3,924 0 View
There are various steps in protein preparation. One of them is refinement. Why is it required?
07 August 2015 9,545 0 View
During protein preparation in Maestro by Schrodinger the bond order needs to be corrected. I want to know what bond order means, its importance and why it needs to be corrected
07 August 2015 7,101 0 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
I'm dealing with a mediation model and am using the PROCESS module in SPSS. Due to SPSS and PROCESS being limited in the imputation methods - being unable to handle multiple imputation - the other...
02 March 2021 4,362 1 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
I am using a 2707 waters HPLC device. When I try to inject a sample, it says missing plate or rack. I changed the needle and calibrated its position but I still get the same problem. I even get...
02 March 2021 1,408 1 View