factors / parameters for molecular docking
result interpretation
I think
Energy state of protein and Ligand (to gain structural stability) It should be lowest. can be achieve by changing dimentions of protein and ligand.
Binding affinity between protein and ligand.
binding FREE energies or docking scores, you may consider descriptors of lipinski rule also for ranking.
I am using several U-Net variants for a medical image segmentation task. I get the following values for the performance measures including Dice, IOU, Area under receiver-operating characteristic...
27 December 2020 7,273 3 View
I have a frontal and lateral chest x ray projection for a given patient as shown in the attached figures. I am thinking about performing pixel-level mappings across these views. What are the steps...
26 October 2020 7,309 3 View
We have seen researchers using various types of GANs to synthesize medical data. However, it is hard to train the GANs and also the synthesized images are no good compared to the actual since...
20 July 2020 6,963 4 View
I have observed that the performance of a machine learning model trained on a larger dataset is not as convincing as the one trained on a smaller (different) dataset. What quantitative measures I...
16 February 2019 9,398 4 View
Commonly we extract features using: net = googlenet() %Extract features featureLayer = 'pool5-drop_7x7_s1'; #the last layer before softmax How to extract features from a different layer earlier in...
29 November 2017 3,753 4 View
23 September 2017 8,567 7 View
Do we have a open-source standardized database of TB microscopic sputum smear images?
24 July 2016 5,251 5 View
PMDB link is down for the last two months. I need help to archive and get a unique id for my homology modeled protein structure. Any suggestions?
04 May 2014 9,448 5 View
Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1
17 August 2021 0 0 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
20 June 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
What this unit identifies for the ion exchange capacity ca. 0.92 meq. g-1. I am a newcomer in the membrane area. I just started. I highly appreciate your help
08 May 2021 0 0 View