In 3D QSAR model Q2 reults is negative. what is that mean? and can I proceed?
I have aryl halides derivatives contain guanidin group. I need to make suzuki coupling . How can I do this ? Please reference. I previously did it but on derivatives without the guanidin group.
11 December 2017 3,572 3 View
after suzuki coupling reaction in dioxan : water, reaction cooled to room temperature, diluted with water, extracted with ethyl acetate, ethyl acetate was dried over sodium sulphate, concentrated...
01 February 2017 506 4 View
I have a molecule with phosphate group which contains a -2 charge . After minimization, new bonds appeared between the O atom and phosphate groups/ How this can be corrected?
04 May 2014 1,383 6 View
During minimization , I found an error . By visual inspection I found clashes between the ligand and the protein . How can I solve this problem? Take into consideration that the ligand and protein...
04 May 2014 7,477 6 View
I need to deprotonate a specific tyrosin residue in my protein before running MD simulation using gromacs .
03 April 2014 1,554 5 View
When I ran a steep minimization this error appeared: Steepest Descents converged to machine precision in 947 steps, but did not reach the requested Fmax < 1000. Potential Energy =...
03 April 2014 6,217 7 View
I need any source which discusses gromacs results. I performed a ptn-cplx simulation and I had bad results, so I need to ensure that results are correct. What can I do to improve the results (i.e...
03 April 2014 2,459 11 View
I need to run a MD simulation using GROMACS. The ligand topology couldn't typed using GROMACS so I used PROGRG to generate it but it has a bad history in determining atoms charges. I then decided...
03 April 2014 4,717 10 View
Dear fellow researchers, I am currently working on a paper where I need to provide a reliable reference that defines and distinguishes between 3D mesh models and 3D city models. Although I am...
06 August 2024 9,986 2 View
I am working on Abaqus/Explicit(Quasistatic ) for the deformation of the auxetic structure model. Please explain how the plastic input value should be considered from the true stress-strain curve...
05 August 2024 454 3 View
A Markov-like Model for Patient Progression" Markov Chain Monte Carlo (MCMC) Markov Chain Monte Carlo (MCMC) is a powerful computational technique used to draw samples from a probability...
05 August 2024 10,079 0 View
I am seeking experimental or applicable data for the liner (LLDPE) interface in FLAC3D numerical modeling of a large stockpile. Could you please recommend suitable references? The preferred data...
05 August 2024 3,665 0 View
Hi everyone, If you have written or come across any papers where Generalised Linear Mixed Models are used to examine intervention (e.g., in mental health) efficacy, could you please share the...
04 August 2024 4,130 4 View
I am working on a SEM model where i have 7 latent variables (6 exogenous and 1 endogenous). In AMOS when I co-vary the exogenous constructs, only 2 paths are coming significant out of 6. But when...
03 August 2024 6,028 4 View
Only Journals make money from the articles we have worked on for years. Academics do not earn money from their refereeing. Then shouldn't the solution be a system in which academics can earn...
01 August 2024 6,469 6 View
Does anyone know of a module for the JAMOVI software that is capable of generating mean separations using the classic letters based on post hoc results (e.g., Tukey test)? If, as I believe, such...
31 July 2024 3,333 4 View
I am currently working on validating land subsidence results obtained using SBAS InSAR. Could anyone suggest reliable sources or repositories where I can download a historical DEM from 2018?...
31 July 2024 9,757 3 View
I am looking for a published article using SAS or SPSS Generalized linear model for trial/event data and not survival analysis. Both software packages off the option for the number of success out...
30 July 2024 3,835 2 View