MInimisation before docking?

I am trying to do both docking and molecular dynamics simulation. Should I minimise the protein structure after adding amino acids far from active site before docking? I have taken a PDB structure...

02 November 2020 4,798 4 View

Can we disperse Graphene in HCl using sonication?

I am not sure if graphene could be dispersed in Hydrochloric acid solution by Sonication process. If anyone could share more idea on this, it would be great for me.

30 May 2019 3,712 3 View

Does anyone have reference papers for microhardness behaviour of AISI 316 L SS on HAp powder mixed EDM?

Reference papers on 1. Micro hardness behavior of AISI 316 L SS 2. Surface Topography 3. Hap Powder mixed EDM

04 January 2019 1,975 3 View

Which software is best equipped for Energy market simulator modeling?

Basically, Power World Simulator has been pretty popular for Energy Market Simulator Modeling (Educational Purpose) due to the incremental cost parameters in generator module and many more...

16 August 2018 2,646 4 View

SENP1 treatment of CoImmunoprecipiteted proteins?

Dear Researcher, I am trying to imminoprecipitate (IP) Sumoylated protein. i am succesfully able to get it. now i have to carry out desumoylation of that immunoprecipiteted proteins in vitro. I...

27 February 2017 6,419 3 View

May I know somebody interested to collaborate in academic work about 'Adolescent SRH in Nepal (a quantitative study'?

27 January 2017 413 4 View

No title

10 January 2017 3,671 1 View

Is it possible to feed the data output from MATLAB model or script files to ETAP simulation?

11 July 2016 9,674 3 View

Does the space of Raviart-Thomas finite elements contain the space of piecewise constant functions in triangular mesh?

Is the piecewise finite element space subset of RT space?

17 November 2015 9,173 3 View

Can anyone suggest a simple calculation procedure to prepare any solution in terms of ppm ?

I am very confident and experienced enough in preparing the solutions up to ppm level when it is a SOLID, but I am confused in the case of LIQUIDS, say for example Hexadecane (hydrocarbon) has...

16 February 2015 9,202 18 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

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

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

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

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 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

What is your perception on using visual analysis or quantitative approaches to evaluate data from single-case research designs (n of 1 trials)?

Results of single-case research designs (i.e., n-of-1 trials) are often evaluated by visually inspecting the time-series graph and computing quantitative indices. A question our research team is...

03 March 2021 687 1 View

How to get onecolumn document from standard IEEE ACCESS LateX template?

I have prepared a manuscript in IEEE Latex template, but for some purpose, I need to prepare a word file as well (detailed format is not required). Compared to two column .tex file, one column...

02 March 2021 1,830 3 View