For example: reasons to prefer one method over the other? The relative-stability of the product? And the outcome conformational change in each?
Would you kindly recommend a free online software that predicts the biological/pharmacological activity of small organic molecules from its structure? PASS is not working
08 September 2018 9,798 3 View
Dear All We are a research group situated in Cairo, Egypt, specialized in pharmaceutical research in topics pertaining to the discovery of Phosphodiesterase enzyme isoforms inhibitors .We are...
04 May 2018 8,203 2 View
We are synthesizing small organic molecules as potential NS5A inhibitors. we are looking for partners for testing in replicon assays against different genotypes in Huh-7. We need to determine...
10 November 2015 6,628 3 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
effect of double bond on the flexibility of polymers
07 April 2021 0 0 View
I am writing to request some information for making polymer color flakes. I would appreciate the help.
17 March 2021 0 0 View
Hi all, I am validating a polyclonal antibody raised against human ANT4, through WB and ICC. In most of my controls, the antibody shows very little off-target binding, but when I pre-incubate the...
03 March 2021 5,999 3 View
I am at the beginner level in drug design and drug discovery, and I am interested to learn more about this field. Which books are highly recommended to start from and gives me all essential...
02 March 2021 8,437 2 View