Can someone explain in simple terms how a Matching algorithm (used in DOCK, FLOG, LibDock and SANDOCK) work.
Hello! I have conducted a series of experiments for drug binding of a certain compound to HSA (serum albumin) such as fluorescence, UV-Vis, etc. Is it alright to publish my results without an...
09 October 2017 362 6 View
I am trying to find fluorescence of dyes in physiological pH, but I am not certain about the exc and em wavelengths of phosphate buffer.
11 December 2016 4,319 0 View
As I can observe from various papers, what can be the possible reason why NONOates are synthesized with very low temperature conditions? Is it because the multi-nitrogen species can react violently?
02 March 2016 1,917 0 View
Hi there. What method can I employ if I want to deprotec a Boc-protected secondary amine without using acid? or simply put some mild conditions for Boc deprotection without acid reagents.
02 March 2016 3,452 6 View
I am currently interested in biophotonics and I want to apply it to biochemical samples though I do not know how to begin. Would you help me brainstorm with this one?
31 December 2015 437 1 View
What computational chemistry tool can be best for this time of system, especially that phosphatidylserine and phospatidylethanolamine have interactions in the lipid bilayer?
31 December 2015 3,713 4 View
Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...
06 August 2024 1,495 2 View
kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar
29 July 2024 3,084 8 View
Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...
28 July 2024 2,136 4 View
I wanted to know whether we can observe the synergistic/antagonistic/additive properties of combinations or mixtures of compounds through docking analysis. But during docking preparation any...
28 July 2024 7,413 6 View
If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...
28 July 2024 673 3 View
Hello, We found three packages of Illustra™ MicroSpin™ G-25 columns in the cabinet of an unused lab. They are very old but have never been opened. I have never used this kit before, and I couldn't...
25 July 2024 4,927 3 View