where to find the X-ray coordinates of a particular protein deposited in RCSB Protein Data Bank (PDB).
You can open the downloaded PDB file in WordPad.
Hi, we are trying to simulate ligand which is binding to the surface (exposed cavity) of a protein. The ligand topology was created from the antechamber and the complex was simulated using...
05 June 2019 1,102 2 View
Studies have shown that quadratic equation gives improved correlation coefficents than linear equation. Still, Linear correlation is more popular amung the modeling community. What are the...
11 December 2018 4,304 3 View
If I simulate the two similar systems with similar parameters under different CPU load and nodes/processors. Then, will I get the replicate results ? I am asking this to be ensure as I am going...
05 June 2018 6,967 4 View
I am trying to optimize a inorganic complex having Ag (0) and Fe(II) states (overall charge is +2). For that i am using Lanl2dz ecp with the given additional input 2 1 C...
03 April 2018 5,860 2 View
I have docked two protein in order to comprehend the residue involve in PPI interaction. Now, I want to visualise detailed interaction types and bonding pattern. I have tried Discovery studio,...
10 November 2017 2,660 7 View
I am interested in studying the dynamic behavior via MD simulations by utilizing the benchmarked OPLS force field. In this course, I have fired various calculation with QM optimized structure...
04 May 2017 2,463 2 View
while optimizing host-guest complex in GAUSSIAN at any level, we have the option of only mentioning overall charge on the system not on a particular atom. In such case, if I want to represent the...
04 May 2016 1,658 7 View
Hello Everybody ! I am trying to perform MD simulation of a protease apoprotein (pdbid: 2FOM) as well as its complex with inhibitor. Upon analyzing, I found that there are huge fluctuations in...
01 January 1970 9,774 4 View
If Banks do not provide credit facility, what are the options available for FPOs and impact on producer’s income?
10 August 2024 8,198 5 View
Require for Rietveld refinement in XRD.
08 August 2024 3,081 2 View
I'm working on selecting antibodies against a recombinant protein that has a His-tag. My idea is to first bind the recombinant protein to a HisTRAP column and then use this column for an affinity...
07 August 2024 505 3 View
During low-temperature testing, new diffraction peaks that appear could be indicative of several phenomena. In one of our tests, we observed notable new peaks around 40° and 45° in a specific...
06 August 2024 726 3 View
I want to refine one XRD peak of my in-situ xrd but the background is never working good which ultimately fails the refinement. How to refine and adjust the background using GSAS-II
05 August 2024 5,291 2 View
I have protein-membrane simulations (PDB, PSF, DCD) and have noticed that water molecules near the protein are not visible in the simulations. How can I fix this issue? Is there a way to place the...
04 August 2024 1,200 2 View
How to calculate the molar proportions of the oxides from the XRF analyses?
02 August 2024 2,565 2 View
I fabricated Ti3C2Tx using concentrated HF 40%, I plot an XRD as attached image below.. please let to know if I obtained it or not.
02 August 2024 6,789 4 View
Is it the "elution buffer" or the "dialysis buffer"? Note: I'll be using NanoDrop OneC
01 August 2024 967 3 View
SMEs are backbone of the country's white economy, most of them are II generation entrepreneurs and migrated from family owned business policies, and having sufficient higher educations for...
01 August 2024 5,562 2 View