What are the parameters can control the cavity size? Or it just a hit and trial method.... I have one Schiff base compartmental ligand and other ligand system is porphyrin. I need your valuable suggestion who is working in this field .
Can you please draw your ligand? You cannot get helpful answers without telling people what your compound is exactly.
Hi all, I am working on methanol steam reforming using packed bed for hydrogen generation. I am using FLUENT software for CFD simulation. In reference paper, authors mentioned that effective mass...
10 February 2021 6,104 1 View
I want to publish my pilot study about corrosion in RC structures in any journal. Please help me to find good options.
25 January 2021 6,413 3 View
I want to transfer GaInSn alloy from one container to another with the help of an electromagnetic pump. Can anybody suggest me which brand or which company supplies these pumps?
25 January 2021 9,481 2 View
I am willing to Cas13 in vitro. Can it be directly purified from PAGE gel, please suggest me the method.
19 January 2021 1,136 3 View
I want to give a CPW feed anyone suggest how to providea feed in antenna which I'm designed
18 January 2021 3,517 2 View
Hello Everyone, I want to know about best analytical model that consider the interfacial thermal resistance which predicting the thermal conductivity for fiber/matrix composites. Here, Best...
30 December 2020 6,375 2 View
Soil fertility, plant nutrition
23 December 2020 7,301 5 View
I am working on review paper on " Public Transportation" . Please suggest suitable journal which publishes review paper.
30 November 2020 6,687 3 View
I published the paper one year back and received volume and issue number of my paper from publisher. Can i upload on public forum? please suggest
30 November 2020 1,219 4 View
Hi all I would like to study the microstructure evolution of semi-solid tin-lead alloy for an extruded sample during the isothermal heat-treatment process. Is there any difference if I heat up...
18 November 2020 9,087 7 View
I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...
27 February 2021 4,703 1 View
24 February 2021 9,166 3 View
When I reacted Bidentate NS Schiff Base with metal salt (M-Cl2) metal chlorides in +2 oxidation state in proportion of (2:1 Schiff base &metal salt) , i was get sticky material Why ? ---~...
21 February 2021 7,970 5 View
Hi, I'm asking from the point of view of designing a research plan: How long (approximately) can it take to determine the transition state structure of an enzyme substrate using kinetic isotope...
14 February 2021 2,610 1 View
I am doing ABF simulations to calculate ligand binding enegy. The PMF profile that I get using single long ABF simulation is attached as pmf_total.png. When I do this ABF calculation with 10...
10 February 2021 4,170 2 View
Hi In the design of a bidentate ligand with imine group, is it okay to have a 3,4,5-trihydroxyphenyl group in the structure? In other words, does the 3,4,5-trihydroxyphenyl group compete with...
08 February 2021 4,977 7 View
I am looking forward to remove excess of salt form my metal based porphyrin and trying DSC-18 columns for the same, can someone suggest me how how can one decide the polarity of the solvent to...
01 February 2021 9,076 1 View
I am trying to run a molecular dynamics simulation for a ligand that contains a "SEP" residue. also, I am preparing my files using Charmm-GUI using charmm36 ff, but it says that it will rename my...
31 January 2021 6,321 1 View
I get the following error messages after running the simulation: Sorry, there are no Gasteiger parameters available for atom ligandx.ligand:A:lig1:O7 AutoDock Vina ligand docking initiated for...
26 January 2021 3,822 3 View
I am working on a ligand that is co-crystalized to parotein, but the ligand is missing some residues that makes it appear as if it was separated into two ligands! what I need is to connect them...
23 January 2021 3,975 7 View