How to generate working ligand-protein complex pdb file for further molecular dynamics run?

the atom order in ligand shows mismatch and thus i cannot proceed to next step

31 July 2020 8,946 6 View

Which important microorganism which destroy deemak (Termite) in agriculture soil or land eg safed musali cultivation or any rhizome crop?

we have problem in our field experiment of safed musali (Chlorophytum borivilianum ) cultivation. there is attack of termite in the soil which damage the roots in plant. we approached for organic...

02 September 2019 8,488 1 View

Can PCR master mix solution be prepared in advance and stored at -20C?

For doing PCR, instead of preparing the PCR mater mix solution each and every time, is it advisable to prepare it in a larger quantity and store it at -20C so that the PCR can be set up faster....

27 January 2019 7,112 19 View

How can I plot grains as a point in an inverse pole figure map using TSL OIM software?

A figure like the given one.

29 August 2017 3,374 2 View

How o calculate impedance in hfss using polar plot

I am trying get results from the hfss after design information an antenna and wanted to find if my impedance is matched or not.at 50om .so how can I do that....thanks in advance

18 May 2017 948 5 View

Tieing Eulerian material to Lagrangian body/surface?

Hello, I am trying to tie a Eulerian object to a Lagrangian body or surface in order to give the Eulerian material translational and angular velocities using ABAQUS/CAE. In the ABAQUS...

07 March 2017 7,230 6 View

How to do deconvolution of peaks of XPS (X ray Photoelectron spectra)?

There are many softwares available, but can I know how to analyze XPS using origin or qtiplot etc plotting software?

01 February 2017 2,486 3 View

Can some please suggest which program to use for energy minimization for batch of proteins?

I have created multiple mutations of a single protein and I need to carry out energy minimization of those mutants to check stability. Please suggest some program or software or script.

08 November 2016 417 3 View

How to avoid this warning in Silvaco?

No ionization integrals possible at this bias point. Possibly applied voltage is less than DELTAV in field line calculation or the electrode does not contact any semiconductor material.

20 October 2016 8,761 2 View

Abnormal temperature profile in ABAQUS/explicit using CEL model ?

Hello Everyone ! I'm doing analysis of a welding process using Coupled Eulerian-Lagrangian approach in ABAQUS/explicit. I have created a model (two layers of workpiece, one eulerian part, and a...

21 June 2016 9,323 10 View

Physics: Why do we describe light by referring to its wavelength, but microwaves and radar pulses by referring to their frequency?

In physics, the description of the properties of light generally refers to its wavelength (nm), while in the range of microwaves and radio waves we refer to the frequency of a signal (e.g. kHz or...

03 March 2021 1,682 3 View

Looking for Materials with high thermal expansion coefficient and high temperature resistance?

03 March 2021 8,272 1 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

What techniques can I use to determine the miscibility of polymer blends?

The term miscibility refers to the single-phase state in thermodynamics. I do not mean the compatibility of different components. To determine the miscibility I know several techniques such as...

03 March 2021 4,107 4 View

Waters 2707 HPLC autosampler problem?

I am using a 2707 waters HPLC device. When I try to inject a sample, it says missing plate or rack. I changed the needle and calibrated its position but I still get the same problem. I even get...

02 March 2021 1,408 1 View

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

Discrete Phase model (DPM) particle break-up has particle size limits during particle tracking?

Hello, I am currently working on simulating water droplet partciles in a closed room. When I use uniform particles, without "particle break-up", I can carry out the simulation without any problem....

02 March 2021 3,053 2 View

Shall I skip the measurement model in SmartPLS?

Hello everyone, I had run a mediation model in SmartPLS using questionnaires that were already validated among my statistical population. A professor who edited my paper -though she is not...

01 March 2021 3,052 3 View

What is involved in morphological changes of SEM images of a substance?

In the sem analysis of CaCO3 nanaoparticles, the morphology images showed spherical shaped particles but the proposed morphology for these type of nanoparticles is trigonal. I prepared the...

01 March 2021 1,960 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