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

Global Warming effects?

Hi Professionals! Due to Global warming the earth temperature increases (https://climate.nasa.gov/effects/), which generates floods, storms, and tornadoes because of melting of ice glacier, in...

08 February 2021 9,038 8 View

Queries regarding the rain flow counting algorithm?

02 February 2021 9,790 2 View

How can the resistance of paving asphalt be increased to acid rain?

Modification of the rheological properties of asphalt

25 December 2020 7,390 2 View

Could NASA POWER underestimate daily precipitation?

Hi, I am checking the daily precipitation data from NASA POWER (https://power.larc.nasa.gov), which uses data from MERRA2. When I compare values with other data sets' daily sum values, I see...

11 May 2020 2,427 3 View

How to calculate total electronic cross sections?

Hello, I'm trying to understand photon shielding parameters such as mass attenuation coefficients (MAC's) and effective atomic numbers (Zeff's). I would like to ask how to calculate for total...

08 April 2020 7,893 2 View

Why HRLDAS need to combine snow and rain as Precipitation? Why this need hourly interpolation of solar radiation?

Dear coworkers, my questions are about HRLDAS. I am runing HRLDAS with GLDAS-based forcing data. For running offline LSM such HRLDAS, we know we need atmospheric forcing and initial data. In...

28 March 2020 8,726 3 View

Do rain have effect on the rate of transmission of COVID-19?

Here in some parts of India its raining..

23 March 2020 4,399 12 View

Does homogeneity test prove missing data replacement was good enough?

I have carried out linear interpolation to fill missing monthly rain fall data, and carried out homogeneity test using standard homogeneity test for the annual and seasonal time series from the...

28 December 2019 758 3 View

Can you recommend literature in the impact of rain variability on soil erosion modelling?

In hydrological modelling the impact of spatio-temporal variability on modeled runoff responses is an active research topic (e.g. Sun et al., 2000, Syed et al., 2003, Kim et al., 2008,Vieux et...

21 November 2019 4,650 3 View

How to Model the angle of rain to determine the effect of airfoil aerodynamics?

I'm trying to model the rainfall effect on airfoil aerodynamics. I noticed in few papers, injector is placed upstream of airfoil which means air and rain travels in same direction and also in same...

10 November 2019 3,780 3 View