what is the difference between glide energy and glide score?
http://www.schrodinger.com/kb/144
I know the meaning and importance of glide score (docking score), but i don't know about glide energy.
Obviously, it's not necessary that glide score ranking and glide energy should be in mathematical relationship..some molecules will have comparable glide score with reference to ligand but not glide energy, and vise versa
I have got some files from GC-MS analysis with .raw extension, but I have got the masshunter software that cannot open these files, but only .D files. Do you know how to convert the files in...
01 October 2023 8,482 1 View
I have submitted my manuscript to Steel and Composite Structures Journal two days ago. However, until now, I have not received a confirmation email from this journal. At the end of the submission...
21 May 2023 9,358 4 View
Isothermal curve of palladium..
12 April 2023 7,903 0 View
To know the main reason for existence of galvanized steel core that can influence on magnesium or zinc anodes in cathodic protection system...
29 March 2023 4,789 2 View
Help me in finding corrosion research for master degree but can do it in simple chemical lab...
22 December 2022 3,959 4 View
Some alloys passivate simoltaneously and not exhibit active behavior, what is the reson?
11 December 2022 3,994 2 View
I want to apply a privacy-preserving algorithm in MQTT for IoT devices. Which tool do you suggest to simulate this algorithm? I want to measure the performance on the IoT battery device? Actually,...
28 January 2021 9,848 3 View
bibliographical references in thesis or paper or any scientific research
17 March 2020 2,782 3 View
Compared with traditional or overland PV systems, the floating PV systems can benefit from the natural cooling effect of water and operate with higher efficiency, since the decrease of the...
03 January 2020 2,923 23 View
Which is the best low-cost IOT embedded board available in the market?
08 September 2018 7,399 8 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...
28 July 2024 2,136 4 View
I wanted to know whether we can observe the synergistic/antagonistic/additive properties of combinations or mixtures of compounds through docking analysis. But during docking preparation any...
28 July 2024 7,413 6 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
A molecule shows the -11.6 kcal/mol and second one -8.0 kcal/mol so why molecule (A) revealed higher binding score. Please explain major factor involve in it.
21 July 2024 954 5 View
I have performed docking of proteins with two ligands, both ligands show affinity. I want to check the effect if we join both ligands and perform docking
20 July 2024 2,653 2 View
I have conducted virtual screening using Schrödinger on a database of 17,000 molecules. Unfortunately, I cannot use the system with the Schrödinger license at the moment. I am trying to find a way...
18 July 2024 2,881 4 View
I have used Schrödinger (Glide) for docking
13 July 2024 3,003 1 View
In the peptide-HLA-TCR docking process, can we express the result of peptide-HLA docking in RMSD and for peptide-HLA to TCR docking, can results be expressed in binding affinity?
11 July 2024 4,831 0 View