Plant based polysaccharides are reported to have a big list of pharmacological activities as evidenced by the scientific literatures. I wonder how is this possible when all of them have molecular weights on higher side?
I have analysed set of compounds through LCMS. Is it necessary to do HPLC for the confirmation a single compound which is taken from that LCMS data?
23 October 2022 3,193 4 View
LDA underestimates the lattice constant, while GGA overestimates. Can these two approximations set the two extreme limits for an experimentalist who would synthesize the materials in future?
04 July 2022 2,901 1 View
Hi everyone. Kindly clarify it.
04 July 2022 1,921 2 View
How band structure will change if we adopt hybrid functional rather GGA.
04 July 2022 5,316 1 View
i have the enzymatic antioxidant assay by following the method of Misra and Fridovich, 1972 for super oxide dimutase and Luck, 1974 for catalase assay can any help me how to the calculation for...
11 February 2021 2,563 3 View
Dear Friends, I would like to perform the dihedral angle calculation of particular residue over the period of simulation time. Could you please help me out in creating the ndx file using make_ndx...
19 March 2018 2,462 3 View
I have a 60V, 4.5kW 3-phase AC induction motor. Assuming that the rated power is the continuous power and with no other motor data, can I predict the peak and intermittent power of the motor? I...
14 February 2018 3,622 3 View
Dear All, Im trying to compute the PIEDA for the receptor-ligand residues using the FMO calculation. Could you help me in providing the steps to create the input put file for running the...
10 November 2017 324 2 View
I'm trying to find out the binding affinity between the host-guest complex using Mopac. I have only the complexed and uncomplexed files. It would be helpful if someone could explain me with the...
16 June 2017 2,097 3 View
Is there any alternate animal model for type II collagen induced arthritis in DBA/1 mice? DBA/1 mice is not available easily and thus suggestion on any preferred animal model for the study is...
19 December 2016 5,171 2 View
How do soil microflora interact with plant roots and influence plant nutrition, health, and productivity?
06 August 2024 9,618 3 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
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