Dear all,
Can anyone refer me the literature about the effect of the pi pi interaction on the free energy of solvation. Thank you
Dear all, I have a quarry regarding the temperature effect on the pi-pi interaction. Thank you
04 May 2018 4,220 1 View
What are the advantages for the algorithm based on compactly supported orthonormal wavelet bases
10 November 2016 6,918 0 View
Atime-series database stores sequences of values or events obtained over repeated measurements of time (e.g., hourly, daily, weekly). Examples include data collected from the stock exchange,...
10 November 2016 9,691 3 View
I need to find order of convergence of a method How to find it
10 November 2016 544 2 View
how we can calculate order of convergence of hankel transform?
10 November 2016 9,110 0 View
10 November 2016 1,365 1 View
I want to ask one question related to data processing in Topspin. I done 10 1-d diffusion experiments. Now I have to find the area under one peak(in all spectra) and then I have to plot it. After...
04 May 2014 1,859 4 View
What is an apolar molecule? There is a special category in MARTINI coarse grained force field.
04 May 2014 3,765 0 View
I have to study diffusion by gromacs. I want to calculate full tensor of diffusion coefficients. I am using "g_msd -ten". But it is giving me only one value. I want to ask that my command is...
02 March 2014 4,775 4 View
I am using coarse grained builder in VMD software. In residue based CG mapping, there is an option for bead definition. I am confused as to how to proceed and appreciate any suggestions. Thank you.
11 December 2013 7,661 1 View
"PUBLISHING IN A SCOPUS JOURNAL" Researchers are now at a cross road. The critical need to publish in a Scopus or ISI, etc journal is ever vital. Journal Publication fees must be submitted....
10 August 2024 8,621 1 View
How to develop investments in renewable energy sources?
08 August 2024 5,112 3 View
Hello experts, Does anyone know any free software about retention index prediction ?
08 August 2024 7,403 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
I have an antibody binding generic protein and I need to compare its activity in a free and immobolized form. I understand that there are a number of methods to determine Kd value of a free...
05 August 2024 5,311 0 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
for eg. transition shock scale
01 August 2024 5,998 0 View
Because I have realized that the world tends more and more to do open and free science and there is a trend more and more to choose free databases, free tools and open access platforms.
01 August 2024 10,046 1 View
I'm trying to perform a frequency calculation using Gaussian via MOBAXterm. The output shows no errors, however, there's no frequency as a result on gausview. The option "vibrations" is not...
31 July 2024 631 4 View
Hello. Thanks for your consideration to see my question. Recently, I conducted XPS anaylsis of g-CN that is prepared from thermal polycondensation of DCDA, so-called conventional bulk-g-CN,...
30 July 2024 9,824 2 View