Which tools are best for prediction of binding pocket or active site of protein to perform molecular docking?

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What if top fiber concrete strain exceeds the ultimate strain when fixing the yield strain in steel i.e to calculate yield moment in circular column?

I have prepared an excel sheet to calculate yield moment and curvature for a hollow circular section. In which Depth of Neutral Axis is fixed using "GOAK SEEK" function. Axial Force is input of...

22 November 2020 4,632 3 View

How to do MD simulation of docked protein complex after docking .?

I have perform some protein-protein docking studies. I used Hdock, Prizm. But I am unable to find a proper method to verify my docked structure. I also docked my structure in Hex program to get...

19 October 2020 4,083 7 View

I want to know about command to fetch XTC and PDB file For markov Calculation?

I am learning markov state model in jupyter notebook. When I am fetching data with mdshare.fetch() command from tutorial its okay. But how I will fetch XTC and PDB File from my local source. Which...

10 August 2020 5,379 3 View

How to fix error of GROMACS topol.top file?

I am doing MD simulations for protein. When i am running the commands the following error is occurred Command which i have used with ubuntu gmx genion -s ions.tpr -o solv_ions.gro -p topol.top...

27 July 2020 3,199 15 View

Which is the best ELISA assay kit for the measurement of mouse serum and urine creatinine?

Hi, I am looking mouse ELISA kit for the evaluation of creatinine level in serum and urine. Could you please suggest me which kit is most reliable for this assay? Regards, Nirmal

03 December 2019 824 4 View

How to Manufacture the Nano Powder of Zirconium or Zirconia from Micron Size available in market?

Zirconia or Zirconium NaNo Powder Production

26 November 2019 2,247 3 View

Can someone Help me out with a suitable UDF to import variable properties of SUPERCRITICAL Water?

I am not able to hook up my table of ISOBARIC (225 Bar) PROPERTIES OF SUPERCRITICAL WATER (varying wrt Temp) obtained from NIST into ANSYS FLUENT which only accepts a C Code, Piecewise Linear and...

27 October 2019 4,424 5 View

How can I convert charmm parameter and toplogy file in to the amber format?

Hi I am following a paper "Development of CHARMM-Compatible Force-Field Parameters for Cobalamin and Related Cofactors from Quantum Mechanical Calculations". In this paper they used charmm force...

25 September 2019 8,059 7 View

Can the capacitance of a Graphene based FET can be calculate via CV charge discharge method?

As in case of capacitance calculation for super-capacitor the CV charge discharge method is popularly used. Can the similar method be implement to calculate the capacitance for graphene based...

27 August 2019 2,843 5 View

How to I completely drying a solvent casted PLCL film?

I have prepared a thin PLCL film by solvent casting technique. The solvent I used is acetone. I am getting a sticky film even after heating the film at 90DegC for 3-6hrs. Please suggest any...

08 August 2019 6,017 1 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