How Shall I perform Principle Component Analysis in GROMACS?

I have to perform PCA as a part of my results and analysis of protein-ligand complex docking using GROMACS 2018.8. How shall I perform PCA and interpret the results for the same? Any insights...

13 December 2020 3,121 2 View

How shall I prepare a protein PDB file in a particular pH for docking and simulation?

I wanted to prepare a protein at an alkaline pH for molecular docking as that is the pH I want to perform my in vitro assays in? I prepared my protein at the required pH through H++ server;...

13 December 2020 2,272 3 View

Publicly accessible solar photovoltaic generation data?

I would like to ask if there are possible resources to access any freely available datasets of actual power generation from a utility-scale solar photovoltaic power plant on an inverter-wise basis...

29 November 2020 1,743 4 View

What will the voltage-current characteristic of a PV string be like with each module getting different irradiance?

Suppose, in a photovoltaic string with multiple modules (assume 10), all connected in series, each module is getting different values of irradiance uniformly throughout the module surface. Each...

02 November 2020 3,826 2 View

Has chemistry Nobel Prize really become the biology prize ??

07 October 2020 8,119 6 View

Which of the five PDB files (DRGFIN.PDB, DRGMMX.PDB, DRGNOH.PDB, DRGPOH.PDB & DRGAPH.PDB) as an output from PRODRG Server do I need to use?

I have some protein-ligand complex to simulate on GROMACS version:unchecked. For preparation of my ligands, I submitted the extracted Ligand.pdb file and submitted it in the Prodrg server, Energy...

01 September 2020 9,154 5 View

Can anyone please enlighten me, that what are free in silico toxicity prediction software/s available for academic purpose ?

Free toxicity prediction software based on genetic algorithm and deep learning of some training dataset #toxicity #Freesoftware #insilico #Deeplearning

30 August 2020 7,950 4 View

How Cassia Tora powder (Cassia obtusifolia) can be fully solbilized in water?

The filtration cassia powder is very low. It passes only 20-40g throug 63/74 micron/cm2 mesh even after the modification with Sodium chloroacetate. Therefore, it has biigeer solubility issue. So,...

28 March 2020 3,728 3 View

How to find out probability density function for an arbitrary set of data?

Dear All Firstly, I saw that probability density function is used in meteorology for comparison. For example, if I have two time series of same meteorological parameter from two different sources....

14 February 2020 797 1 View

Can metal polymer sandwich material system be applied for biomedical application?

What are some some recent trends where metal polymer sandwich material system can be an effective alternative in biomedical?

20 January 2020 6,434 2 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

Logistical regression using SPSS for a dichotomous dependent variable, with an independent variable of 1, 2, 5 and 10 seconds?

I have an experiment with 28 participants The independent variable is the times 1, 2, 5, and 10 used as the cross hairs during a task These 4 times were tested using 4 different blocks, each...

03 March 2021 9,692 2 View

What test should I use to compare two or three means, if data is not normally distributed but sample size is > 30 in each group?

I personally feel this as a most confusing question. As per my understanding, if sample size is > 30, and sample is skewed, we can still use paramteric approach, as it will follow Z...

01 March 2021 1,587 6 View

Timeout error!! Processor in the loop (PIL) using STM32F4 Matlab 2018a?

Dear Researchers I am trying to perform a PIL simulation using STM32F4 Discovery board and comunication serial USB TO TTL. During simulation I receive the following timeout error: An error...

01 March 2021 2,327 1 View

Distribution of particles in metal matrix?

How would define the "good" and "poor" distribution of particles within the matrix. Is there a quantitative solution to assess the distribution of the particles, which then having denotation of...

28 February 2021 7,397 8 View

How to eliminate Steady state error from Reinforcement learning genetic algorithm code?

The following code (see 1st 2 images attached) is used to produce PID controller values that are designed to control the system (G). The code finds the PID controller values (noted as k) by using...

28 February 2021 6,560 14 View

Is there a deep reason for using the squared modulus of the wave function as the probability density of the existence of the particle?

I think we were all surprised at the first time we got to know quantum mechanics that the squared modulus of the wave function is the probability density of the existence of the particle? The role...

28 February 2021 6,282 9 View

How to prevent ANFIS Model from negative prediction values in MATLAB?

I have input and output data set for "ANFIS modeling in MATLAB", and I am getting some negative predicted values of output in testing. However, the predicted values of output in training are...

28 February 2021 3,459 3 View

How to plot the probability paper of Gumbel distribution using R programing?

In R-studio, there are many commands of Gumbel package. Arguments are also different. I`m asking about the alpha parameter of the Copula which must be greater than 1. If this is the one used to...

25 February 2021 5,229 3 View

How could I process data in RCT to include it in meta-analysis?

I'm in the process of doing a meta-analysis and have encountered some problems with the RCT data. One of my outcom is muscle strength. In one study, I have three different measurements of muscle...

25 February 2021 7,603 3 View