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 referring to this study https://proceedings.neurips.cc/paper/2020/file/288cd2567953f06e460a33951f55daaf-Paper.pdf entitled "On Warm-Starting Neural Network Training". Here, the authors...
24 January 2023 921 1 View
I computed the structural similarity index (SSIM) value between a ground truth mask and its corresponding predicted mask in an image segmentation task using a UNet model. Both the ground truth and...
12 January 2023 7,403 2 View
How to draw concepts maps while writing thesis .
05 July 2022 4,721 3 View
Are there any software's that would help me enhance the quality of writing the different chapters?
29 May 2022 1,403 3 View
I am training a deep learning model toward a image classification task. The VGG-16 model is trained individually on two different training sets with varying degrees of data imbalance. Set-1 had...
29 July 2021 2,946 3 View
I trained a VGG-16 model on a highly imbalanced dataset where the positive samples (class-1) were only 20% of the negative samples (class-0) ( # positive samples: 100 and # negative samples: 500)....
29 July 2021 6,361 0 View
I have trained a VGG-16 model toward a binary classification task. The model was trained on equal numbers of abnormal and normal images (n=2000). Literature studies demonstrate that model...
26 July 2021 6,253 4 View
I have generated denoised images using several models and would like to ensemble at the prediction level to achieve superior denoising results. What would be the best way to combine (averaging,...
10 March 2021 2,270 1 View
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 7,525 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 7,617 3 View
I would like to learn more about SPSS and Its application especially in regards to data analysis. Please suggest me how I can learn more about it. Thank you so much.
11 August 2024 9,101 4 View
I have reverse sequences (AB1 format), can I base on reverse DNA sequences to perform nucleotide alignment, convert nucleotides to amino acids and deposit the sequence in GenBank database?
11 August 2024 5,138 1 View
i am unable to interpret why its increases in start as shown in figure
11 August 2024 2,179 1 View
Hello, Why do i see this baseline drift when i compare my blank (black) to the sample (blue)? Any suggestions as to why this happened? Thank you!
11 August 2024 3,770 4 View
Willett, Shenoy et al. (2021) have developed a brain computer interface (BCI) that used neural signal collected from the hand area of the motor cortex (area M1) of a paralyzed patient. The...
10 August 2024 7,180 0 View
I'm currently exploring the application of Python in textile engineering, specifically in areas like data analysis, process automation, and the development of smart textiles. I'm interested in...
10 August 2024 7,429 2 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
Hello everyone, I recently submitted an article to Geotechnical Engineering (Proceedings of the ICE), and the current status has been listed as "EiC Pre-assessment: Ready" for the past 20 days. I...
10 August 2024 6,493 1 View
Hello everyone, I am currently developing a thesis proposal and would appreciate your input on its viability and how to effectively carry it out. My proposed topic is: "Does the perceived threat...
10 August 2024 8,992 0 View
How can I use the cif data obtained from rietveld refinement extracted via gsas2, for microstructural analysis using ETEX software?
09 August 2024 7,718 0 View