User: ashamscsoft

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ashamscsoft20
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2 years, 2 months ago
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3 years, 8 months ago
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Posts by ashamscsoft

<prev • 73 results • page 1 of 8 • next >
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rf-score protein-ligand complex
... Hello all, I have a doubt in calculating rf-score for protein-ligand complexes. I have taken the scripts from http://chemistry.st-andrews.ac.uk/staff/jbom/group/RF-Score.html. This is the script for PDBBind benchmark dataset. My doubt is they have given the csv file as input for both core07 and ref ...
rf-score protein-ligand complex written 2.2 years ago by ashamscsoft20 • updated 2.1 years ago by Biostar ♦♦ 20
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Physiochemical properties of protein
... I have a doubt in physio-chemical properties of protein. My doubt is, what are the physio-chemical properties and how that is different from protein-sequence descriptors? Please help ...
physio-chemical properties written 2.3 years ago by ashamscsoft20
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Comment: C: Accuracy prediction for regression
... Can u explain in detail? By using cross-validation how to calculate accuracy for regression. ...
written 2.3 years ago by ashamscsoft20
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(Closed) Accuracy prediction for regression
... I have a doubt in accuracy prediction for regression. I'm new to regression, so please help me? Suppose if I have correlation coefficient as 0.97 and root mean square error as 0.0003. How to calculate accuracy for this? ...
regression written 2.3 years ago by ashamscsoft20 • updated 2.3 years ago by Nicolas Rosewick8.1k
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Autodock vina scores
... I have a doubt in getting scores from autodock vina. I have used --score_only to get the scores. But the output what i get is only 0.I have prepared a text file which contains center and grid points.I do not know why I'm getting values like that? Can anyone help ...
autodock vina scores written 2.4 years ago by ashamscsoft20 • updated 19 months ago by Biostar ♦♦ 20
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Binding Affinity prediction
... I have a doubt whether ki and kd are same according to this link http://autodock.scripps.edu/faqs-help/faq/how-autodock-4-converts-binding-energy-kcal-mol-into-ki. And also according to this link there is a formula in this link like ln k(binding)=-ln K(inhibition). In this we have to prove lhs=rhs? ...
binding affintiy ki kd written 2.7 years ago by ashamscsoft20 • updated 2.7 years ago by Devon Ryan91k
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Binding Affinity prediction
... i have a doubt in binding affinity prediction. My doubt is im getting positive value for affinity. The formula i used to calculate is kd=[l][p]/[lp], where l is ligand molar concentration and p is protein molar concentration and [lp] is complex molar concentration. I calculated molar concentration b ...
binding affinity molar concentration written 2.7 years ago by ashamscsoft20
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Comment: C: molecular weight, protein
... automatic calculation i did in this link only. But my doubt is i dont use any solution here. without using any solution can we calculate ...
written 2.7 years ago by ashamscsoft20
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molecular weight, protein
... i have a doubt in conversion of molecular weight to molar concentration. my doubt is i did this in online and the link is molbiol.edu.ru . In this im putting my protein MW, in the calculation of molar concentration part do i need to change anything or can i press the calculate button. Since im calcu ...
molecular weight molar concentration written 2.7 years ago by ashamscsoft20
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Comment: C: Molecular weight, SPDBV tool
... I uploaded pdb file of a complex in pymol, written from autodock file. I got that file after docking. The error i face when i try to compute complex weight is CmdLoad: "F:/A/complex.pdb" loaded as "complex". Traceback (most recent call last): File "C:\Program Files\PyMOL\\PyMOL/modul ...
written 2.7 years ago by ashamscsoft20 • updated 2.6 years ago by WouterDeCoster40k

Latest awards to ashamscsoft

Popular Question 2.3 years ago, created a question with more than 1,000 views. For Active site Prediction
Popular Question 2.7 years ago, created a question with more than 1,000 views. For Converting a sequence to FASTA format in R

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