I've heard of Schrodinger and discovery studio. Is there any other software?
MOE might be useful: conformer generation & alignment, pharmacophore modeling, structure-activity relationships exploration.
one can perform 2D-QSAR using free DTC tools. We can introduce 3D-descriptors in the QSAR studies. SYBYL is another platform where we can perform COMFA and COMSIA studies other than MOE.
You may refer to
https://www.3d-qsar.com/
Check out the following tools
http://open3dqsar.sourceforge.net/
https://www.click2drug.org/index.php#QSAR
http://crdd.osdd.net/
Which is suitable for use with Python? MySQL or SQL Server? What is your suggestion?
01 March 2021 3,422 3 View
About crack modeling in ABAQUS: Mode I (pure-tensile cracking) and Mode II (pure-shear cracking), these assumptions may be accruing in theoretical approach (ABAQUS) not practical in Lab....
19 February 2021 6,156 1 View
hi everyone I am simulating a unit cell structure in HFSS using Flouquet port having two modes for absorption I have used this formula:- absorption=...
17 February 2021 9,178 2 View
Hello. An article on the Iranian state's civil liability in the COVID-19 issue has been written in collaboration with a friend and a comparative look at law and biology. The article is ready to be...
15 February 2021 2,906 2 View
In my research, I have used metaphorical elicitation tasks to investigate learners' conceptualization of speaking fluency. In the analysis phase, I used thematic analysis to make themes out of...
10 February 2021 4,719 11 View
Hello all, I am trying to model CO2 being dissolved in a bubble column filled with water. For mass transfer definitions, I need to define two phases: for instance, liquid and gas, where the liquid...
08 February 2021 2,722 3 View
I'm preparing materials that will be use in SOL-GEL to produce silica gel, I will use Tetraethyl orthosilicate (TEOS) as precursor, and ethanol as solvent , but when I search to buy ethanol, the...
01 February 2021 5,153 4 View
For research purposes, it is required to have optically clear, low viscosity silicone oil with a refractive index of 1.5-1.4. It is going to be used in optoelectronic research. Online purchase is...
01 February 2021 9,160 3 View
Due to the pandemic of coronavirus, the most source that the people depend on was social media. There is no guaranteed solution that is biased from political opinion. An example of that the...
01 February 2021 7,567 3 View
I want to add silicon nanoparticles to my hydrogel, but when I sonicated these particles with water to disperse them in water, they agglomerated on the water's surface. How can I disperse them in...
26 January 2021 213 4 View
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
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
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
I understand there are a lot of software programs that can simulate DED by going through specific modeling, simulation, and commands. For me, that was time consuming and results were not accurate....
24 February 2021 4,428 3 View
Hello everyone: I am looking for a simple software program to model chemical bonds. The purpose is to generate a high-quality graphical abstract for a top leading journal in the field of...
23 February 2021 8,012 3 View
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
I am trying to register a light micrograph onto a 3D CT data set, as I want to extract the corresponding image from the CT data set. Is there any software or program can do this accurately? I am...
21 February 2021 8,220 3 View
I have a massive of x, y, z coordinates of 2D surface in 3D space, which builded in Ansys HFSS or AutoCAD. How can I get the analitical aproximation of this surface by formulas?
21 February 2021 3,444 7 View
I am trying to simulate a simplified version of a beam resting on 10 points using Abaqus. The solutions I want to obtain are the Reaction Forces in each resting point or area when applying a...
21 February 2021 3,075 2 View
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