What is the meaning of Positive delta G In Free Energy calculation between protein and Ligand?

I have done Gromacs for FEP ( Free energy perturbation) between Protein and Ligand in Water solvent, with Positive Ions. I got DG 26.02 +/- 3.14 Kj/Mol. I got positive Delta G. How i can...

18 August 2020 736 4 View

How can i prevent the peak tailing in HPLC?

I am using hexane sulfonic acid as ion pair reagent. pH is 3.85. Mobile phase is Buffer and methanol 35:65 ratio. seperated two analytes in this method. C18 column with end cap i am using. How can...

30 August 2019 8,948 6 View

I wish to formulate trichoderma spore in talqa powder and liquid form. any one please suggest me ?

i wish to formulate trichoderma spore in talqa powder and liquid form. any one please suggest me ?

04 August 2019 4,211 3 View

Kindly, name some Fast publication, paid SCOPUS / ESCI / SCI indexed journals in the area of Optimization?

Fast Publication Journals in Optimization

11 February 2019 963 13 View

Can anyone provide me and address of any such industry in India which helps me in extracting essential oil from my research plant species?

i have been working on synthesis of nanoparticles using plant extract. while going through literature i found that some researchers have extracted essential oils from plants.. in this regard i...

18 January 2019 2,895 5 View

Regarding starting resesarch on particle and nuclear physics?

I want to learn particle and nuclear physics. Please give some suuggestions. What type of books should I read for begineer

10 January 2019 336 3 View

Hi all..! Can anyone knows where is the high temperature wear test machine is available in India?

Hi all..! Can anyone knows where is the high temperature wear test machine is available in India?

19 September 2018 8,241 4 View

Can anyone have detailed procedure of preparation of wright stain?

Malaria stain preparation

03 September 2018 2,183 4 View

How to configure the Instrument using Labview without using its specific instrument drivers?

how can i configure any instrument using VISA instrument drivers rather than its specific instruments drivers. need help for control of instruments using VISA drivers

30 July 2018 9,329 6 View

Why there is a change in the trend of the main effect of Garnet size on the depth of cut in the abrasive waterjet machining process?

Am working on the abrasive waterjet machining of Brass, during the analysis of variances, it was found that when the abrasive grain size was decreased from 60mesh to 80mesh, there was decreasing...

24 July 2018 6,947 9 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

How to resolve the problem of serial correlation in vector auto regression ?

We confront with this problem in index related data like CPI.

26 January 2021 9,993 1 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

No title

01 January 2021 9,970 2 View