Atom type vanadium not included, is there a way to use it in AutoDock vina?

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How to remove DCU and HOBT from my reaction?

I am doing a acid and a chiral amino alcohol reaction using DCC and HOBT in DCM or THF? Can anyone suggest me how to remove DCU and HOBT from a reaction mixture??

28 February 2021 2,153 1 View

Why high infiltration in OM treated plot?

We are carrying out trial in the glasshouse where we are comparing the infiltration rate in sodic soil in two different treatments Polyacrylamide vs organic matter ( lucerne pellet). within 27...

25 November 2020 8,787 3 View

I am having problems in removing m-cpba and its corresponding acid ?

I am doing alkane oxidation using m-CPBA as oxidant in DCM. How can I remove the oxidant and its corresponding acid (m-CBA) from my reaction mixture? I also did aqueous work-up using NaHCO3 and...

13 August 2020 8,290 3 View

What are the alternative way to identify the stem cells present in cord blood??

commonly used practices for the identification and characterization of the kind of cell in cord blood other than Flowcytometry and reverse-transcription polymerase chain reaction (RT-PCR).

08 August 2020 6,881 3 View

Why Nepal's agriculture sector growth is staggering?

Agriculture is the major contributor to the national economy, livelihood and employment since long. However, despite the priority in the national policies, the growth of the agriculture sector is...

05 June 2020 1,079 2 View

VCF File SNP Analysis ??

Hello all, I have 60 samples of Whole Genome Sequence (BAM, VCF ) File. Now I want to do SNP analysis ( I am trying to find some positions which differ among case and Control ). I did with...

30 May 2020 980 4 View

Does the internet based survey research need ethical approval?

As internet is, now-a-days, a useful tool for data collection and research, issues also go hand in hand with ethical approval and informed consent. As participants are, by default, give their...

25 May 2020 4,055 13 View

What is the appropriate statistical analysis for Pre-test Post test study with control group and binary outcome?

Let us consider, I collected baseline data for control and experimental group. After that i give intervention to experimental group. Later, I collected data from both group after intervention. If...

18 May 2020 6,007 7 View

Is it possible that an anticancer drug IC50 value for a particular cancerous cell line decreases on conjugation with an antibody??

22 April 2020 9,482 4 View

Does the poly crystalline tungsten nano tip's atom migrate from one layer to another layer under high voltage in Field ion microscope (FIM)?

In Field ion microscopy (FIM), polycrystalline tungsten nanotip is (110) oriented tip. under the gas etching process, the nanotip becomes more sharp by reducing the atomic layer. During the...

14 January 2020 8,055 1 View

Dear all, I was wondering if anyone knows whether MGLtools and Autodock can run on Mac OS?

I have tried to download the 64-bit version of MGLtools however, as many times as I have downloaded and uninstall the programs, an error arises that the app needs to be updated. Thank you.

03 March 2021 5,997 2 View

What are the potential shell well and atomic solvation parameters for the boron atom?

I have a protein-ligand docking project. The ligand contains boron atoms that are not detected by Autodock software. To solve this problem, it is necessary to introduce the boron atom to...

19 February 2021 1,236 1 View

How to Remove different version of atom from pdb Crystal Structure for Docking Preparation?

I am new to Docking and MD, and currently try to catch on it. I try one of the webserver for docking, but unfortunately not working. it says " Your PDB contains multiple forms of the same residue...

08 February 2021 7,426 3 View

How do you get around this AutoDock Vina error?

I get the following error messages after running the simulation: Sorry, there are no Gasteiger parameters available for atom ligandx.ligand:A:lig1:O7 AutoDock Vina ligand docking initiated for...

26 January 2021 3,822 3 View

The dimensionality of protein and ligand is reduced after docking?

I used autodock to complete the docking between the ligand and the protein. I have a question, why the dimension of the result after docking is much smaller than the dimension of the protein...

24 January 2021 7,363 3 View

How to generate .dlg files on PyRx?

Hi. I'm using the PyRx version 0.8 and getting the error message: WARNING: Filename mismatch: "2DFN_ADP_CL.maps.fld" :: "..\2DFN_ADP_CL.maps.fld" C:\Program Files (x86)\The Scripps Research...

17 January 2021 843 3 View

Servers for finding free energy and dissociation constant of protein-protein docked complex?

Hello everyone, I would like to get help about finding any server or application which can give me info about free energy and dissociation constant of protein-protein docking outputs. I have...

15 January 2021 587 3 View

What would be the best option to dock a number of peptides to a protein?

I have been using PyRx to dock peptides to a protein. Initially the numbers were small so it was okay. But now I have to dock over 500 peptides and doing so manually would take forever. My...

10 January 2021 3,330 4 View

Is there any online webserver for DNA-ligand docking?

I have used Autodock 4.2 for docking studies and trying haddock for DNA-Ligand docking. It shows an error and not supported DNA PDB file. Suggest a template for DNA and ligand PDB file and also...

29 December 2020 1,322 8 View

I am looking to learn docking studies online can any one help?

I am interested in docking studies and want to work in that field looking for someone who can help and will guide.

22 December 2020 1,575 2 View