Error in Discovery studio, how to solve?

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Protein size measurement using Zetasizer?

The idea is to measure the hydro- protein sizes in various solvents (eg. with high ionic strength, EtOH/Water, other organic/water solvents), then, due to the extremely low solubility of some...

28 January 2021 297 3 View

How many times should I inject the drug before I take samples for RNA-Sequencing?

I'm going to perform RNA-sequencing of the zebrafish brain with three different treatments, which are naive fish, alcohol withdrawal fish injected with Saline, alcohol withdrawal fish injected...

08 December 2020 4,643 2 View

How do I transform the "Transcripts" into the "Gene symbol"?

I downloaded the expression matrix data "GSE143416_Brain_data_TPM.txt.gz" of GSE143416 from Gene expression omnibus ( https://www.ncbi.nlm.nih.gov/geo/query/acc.cgi). However, the first column of...

30 November 2020 1,304 3 View

Why can't I get the same natural frequencies, which are calculated by the exported [K] and [M] matrices, compared to the ANSYS Modal analysis result?

First of all, I created a simple solid cubic structure with coarse mesh in ANSYS WB Modal modulus. With the boundary condition is set as 1 face fixed, the first 5 natural frequencies (fn) given by...

23 June 2020 9,836 13 View

How to use Python to optimize molecular structure in batch?

I have a batch of molecular files(.xyz) now and want to optimize geometry of these molecules in batch. Is there some advice about how to process them in batch with Avogadro by using Python? Thank...

23 February 2020 632 4 View

Has anyone observed thermal-induced twin boundary migration?

As we know, due to the tendency to decrease the overall Gibbs free energy, grain boundaries in crystalline materials are subjected to thermal-induced migration, either through a diffusive flux of...

23 December 2019 3,272 2 View

What kind of cells are suitable for cytotoxicity test of nanoparticles?

Hi everyone, I'm currently working on bone-targeting polymeric nanoparticles for treatment of osteoporosis. Just wondering what kind of human osteoblast (or other bone cells) are best suitable for...

03 October 2019 9,077 2 View

Meta-Analysis: How do you compare longitudinal studies?

I'm doing a meta-analysis in R with surgical patients. How do you do a meta-anlayis with longitudinal type studies?? We are looking at radiographic values preop, postop, and follow up (3...

26 July 2019 3,756 2 View

Why it is necessary to compare the un-standardized regression coefficients when metric in-variance holds between groups?

Dear Readers: May I ask a silly question regarding metric invariance. Some textbook authors claimed that when metric invariance holds, the comparison across groups of the unstandardized...

01 February 2019 1,671 1 View

Can you compare AMPA/NMDA ratio between mouse strains?

I've read that you can only compare AMPA/NMDA ratio before and after drug treatment as the value itself doesn't mean anything. Is this true? Can you compare AMPA/NMDA ratio between mouse strains...

15 April 2018 3,543 1 View

I am interested in medicinal chemistry field, which books are highly recommended to learn from?

I am at the beginner level in drug design and drug discovery, and I am interested to learn more about this field. Which books are highly recommended to start from and gives me all essential...

02 March 2021 8,437 2 View

What is the state of the drug inside solid lipid nanoparticles (SLNs)?

I am a little confuse with the mechanism of solid lipid nanoparticles (SLNs). The main point of encapsulating drugs into SLNs is because some drugs have low solubility in water. Therefore, SLNs...

01 March 2021 3,703 3 View

Compact antenna for the frequency range 1 MHz-5 MHz?

Hello everybody! I have a problem with developing a compact antenna for the 1MHz-5MHz frequency range. Tell me what type of antenna can be used and what books and articles to read to perform this...

27 February 2021 7,710 4 View

Can impedance of antenna be less than 50 ohms?

I am simulating helix antenna in hfss, right now, giving excitation with 50 ohms port. When I see the results of Z parameter (real). It shows lower than 50 ohms. Do not understand, if it can be...

27 February 2021 4,218 7 View

What are the application of Fixed points thoery in Chemistry.?

It is said that fixed point theory has lot of applications not in the field of mathematics only but also in various areas. So I am looking for applications in Chemistry only..

26 February 2021 3,533 1 View

How to generate AA6061 alloy or any aluminium alloy crystal in material studio?

I need to carry out molecular dynamics simulation on Aluminium alloy. For this i need the crystal structure that which could be further replicated to form a structure.

22 February 2021 1,410 1 View

How to construct different filler shape in MD simulations?

Is there any way to construct different initial filler shapes like triangle, square, rectangle, pillar, and tube in any simulation software.

20 February 2021 1,750 1 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

What Model for Vaporization and Condensation in Fluent will be best?

Hello, I am running a simulation that includes water phase changes. These phase changes will take place below the boiling point of water so I need a method that can accurately model this. From my...

15 February 2021 4,973 3 View

Access to supercomputer resources in India?

Hello everyone, I want to perform some gaussian calculations and want to use Materials studio for my research work. Can anyone guide me how to get access to supercomputer resources in India for...

15 February 2021 8,264 3 View

Uddipta Ghosh Dastidar

if you have the previous docking files, find the protocol file from there, and try to re-run it using the previous protocol.

Yuhong Mao

hey Uddipta, Yes, I'm using exactly the same protocol~ Uddipta Ghosh Dastidar

Yuhong Mao Did you run the docking a long back?

I also found such discrepancies in reproducing the results when Accelerys Discovery Studio got changed to Biovia discovery Studio.

İrem Nur Çelik

Hi, I am also using Discovery Studio 3.5. I get the same error in In Situ Minimization and Calculate Binding energy. The process writes success but gives an error. Do you have a suggestion about this?