Is MOE a reliable software for molecular docking?

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Any ideas to improve (text) Search engine based on User feedback on search results?

Hi Everyone, I have a documents search engine, and the users have ability to Rate the search result for any query they make. For the first versions of Search engine, I am using Universal...

26 October 2020 7,557 10 View

In IR systems, what is the preferred measure if we have incomplete relevance data? MAP, nDCG and bpref_R or any others?

I want to setup a search engine performance system to automatic estimation. Say we have a dataset with more than 30,000 documents, its hard to find relevance data for some queries. which measure...

27 August 2020 3,152 6 View

How to calculate Qmax value from Langmuir Equation?

I am doing dye removal experiment and need to calculate Qmax value from Langmuir Equation, Kindly help me with example .

08 June 2020 8,909 1 View

How can I specify the viscosity of the input flow in simulation on Non-Newtonian fluid in ANSYS fluent ?

I am new to ANSYS fluent. I am trying to perform simulation of Non-Newtonian fluid in ANSYS fluent. ( Shear rate dependent) I was able to tune the consistency index( k), power-law index ( n), and...

04 May 2020 3,484 2 View

Does type-II junction possible for Ohmic metal- semiconductor junction?

My device shows linear current-voltage characteristics. It also shows highly stable photovoltaic behaviour. Please give me appropriate reason and reference (if possible).

22 March 2020 6,226 5 View

Metabolite set enrichment overview?

Hi, I have input data in Metaboanalyst in MS peaks to pathway module. I was able to find the graph as attached (input figure 1). I also generated the report. But I am not sure how would I get a...

14 January 2020 2,631 2 View

How to do endosymbiont analysis in insects?

I have sequences of 16s bacterial specific polymerase chain reaction from bollworm so how to do analysis what type of study can be performed please explain

19 November 2019 8,823 4 View

What should be the dispersion liquid for determining the zeta potential of graphite oxide and graphene oxide ?

I have used refractive index of 1.96. And distilled water as the dispersion liquid. And a zeta dip cell is used. Each time the value of zeta potential is showing zero irrespective of pH. Also,...

13 March 2019 6,178 5 View

Crispr ko cell line?

Hi, I generated a crispr ko cell line. The protein was more than 90% knocked out. But, now after several months od thawing and repassaging,the protein seems to comeback. I plan to do a grloth...

11 January 2019 3,904 9 View

What is the best way to detect and eliminate mycoplasma contamination in cell culture ?

I am doing some experiments on virus infectivity. My positive control cells did not support strong virus replication. The cells in culture look very unhealthy after 2 days and I always make sure...

10 January 2019 3,175 3 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

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

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

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

How to repeat an operation on an atom selection for multiple times in PyMol?

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

Does anyone know HRM channel in a 2 plex QIAGEN Rotor- Gene Q qPCR can be used as a separate channel?

I am going to have 3 different probes in my qPCR work that I am going to do. But I realized that the machine we have in the lab is a Rotor-Gene Q 2plex HRM Platform, saying it has green, yellow,...

01 March 2021 8,544 1 View

In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein?

Hi In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein? I got this error in the add-ion stage: Fatal error "./ amber99sb-ildn-HHH.ff / force...

01 March 2021 8,747 4 View