Under normal condition i should be able to carryout atom-based qsar on my pharmacophore hypothesis but anytime I open the atom nased panel it only shows me generation of model with Just ligands and not the hypothesis.
So i have a few peptides (synthesized by SPPS and not cleaved from resin) and I want to add a maleimide label. We have NHS-PEG-Maleimide and from literature it is evident that the free amine group...
18 July 2024 4,075 3 View
I have repeated an MTT assay three times using different batches of the same cell line. Each time, I tested the same treatment (different medium) and seeded the same number of cells. Additionally,...
08 July 2024 1,900 1 View
I am following the NEB protocol to perform SDM with Q5 and NEB HiFi Assembly. I am making a two base pair change. First picture is my Primers designed with NEBaseChanger. Second Picture is my...
24 June 2024 6,079 4 View
I have a very polar alcohol (soluble in MeOH, H2O, partially in heated DMSO). And a long chain fatty acid that I would like to couple. I can't find a common solvent for them. I can form the...
24 June 2024 9,319 0 View
Hi, In a previous question I asked how to effectively model springs in Abaqus. However, I figured out the feature under Assembly -> springs/dashspots -> node to node Springs. I have a cylinder...
20 June 2024 892 3 View
Hi, I am trying to complete a buckling analysis on a tube with an external pressure. This solves itself easily by adding radial constraint on the internal edge of the tube, one axial constraint...
17 June 2024 8,165 7 View
I'm interested in the earliest days of placental terrestrial locomotion in large herbivorous taxa. Phenacodus seems to be transitional in this regard. Any others?
06 June 2024 5,182 2 View
Hey everyone! I'm doing peptide synthesis on Rink amide resin and sometimes I need to add amino acids with secondary amines or beta amino acids. Normally I synthesize 35 to 40 mer peptides. As a...
21 May 2024 9,035 0 View
Sometimes TCSPC curves are analyzed using the actual photon counts, and sometimes they are normalized with the signal running from 0 to 1, or even from 0 to some value less than 1. What quantity...
20 May 2024 4,277 0 View
I am currently using CASTEP version 22.11, and I encounter the following error when running calculations with spin-orbit coupling: Error with dsytrf in nlpot_prepare_precon_ks Current trace...
19 May 2024 4,236 5 View
If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...
07 August 2024 5,343 2 View
I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...
07 August 2024 2,598 1 View
Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...
07 August 2024 8,414 2 View
If from a geometric perspective the non-halogens, non-noble gases have more empty spots in their valence shell, and the filling/exiting of any of the empty spots in the shell constitutes a...
03 August 2024 4,787 2 View
If you think of electrons with spin as bar magnets, you know bar magnets of opposite polarity as long as they're not occupying the same spatial location don't cancel out each other's magnetic...
03 August 2024 3,927 2 View
Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer
30 July 2024 3,354 1 View
i m interested in pca analysis of c-alpha atoms in gromacs for that i used the following gmx_mpi covar -s mdca.tpr -f mdca.xtc -o eigenvalca.xvg -v eigenvecca.trr -av average.pdb -n index.ndx but...
30 July 2024 1,607 1 View
We assume that we can find a statistical matrix mechanics equivalent to Schrödinger's PDE in two consecutive steps: i-Transform the Schrödinger PDE describing the wave function Ψ into its square...
27 July 2024 3,959 4 View
We assume that there is a physico-statistical meaning to the constant π other than circular geometry, but the iron guardians of the Schrödinger equation deny this. The iron guardians of the...
22 July 2024 4,285 9 View
Hello everyone, I am running DFT with CP2K software at 1200 K, 1 bar with a periodic system of 64 Al atoms + 2 CO2 atoms. However, I am seeing my temperature slowly increase to >4000 K and my...
22 July 2024 3,177 0 View