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 to isolate diazonium tetrafluoroborate ?

I'm trying to synthesis and isolate diazonium salt of tetrafluoroborate. this salt showing white color as per reported paper. while I'm doing after addition of NaNO2 colour showing faint yellow...

11 February 2020 4,590 2 View

How to calculate Eigen sensitivity matrix for structural dynamic problems?

I am solving finite element model updating problem. In order to achieve that i am studying inverse Eigen sensitivity method as a updating method. There, i am unable to understand how to calculate...

04 February 2020 4,513 4 View

What are the techniques to calculate impurity concentration in a metal?

Hello, Can anyone inform me on the techniques (other than semi grand canonical or grand canonical ensembles) that one can use to calculate the equilibrium impurity (say P) concentration in...

21 November 2019 5,137 3 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

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

How climate change will influences human and animal behavioral change?

The role of climate change influencing the human behavior as well as economics interest

01 June 2021 0 0 View

what is the simplest definition of ion exchange capacity

What this unit identifies for the ion exchange capacity ca. 0.92 meq. g-1. I am a newcomer in the membrane area. I just started. I highly appreciate your help

08 May 2021 0 0 View

what is the simplest definition of ion exchange capacity

What this unit identifies for the ion exchange capacity ca. 0.92 meq. g-1. I am a newcomer in the membrane area. I just started. I highly appreciate your help

08 May 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

Can we classify HV and LV lines based on line length?

I have dataset which shows the length of power lines. I need to classify the lines based on the line length. Is there a rule to classify the High voltage (HV) and low voltage (LV) lines based on...

03 March 2021 4,116 4 View