Questions tagged [protein-protein-interaction]

Filter by
Sorted by
Tagged with
0 votes
0 answers
5 views

Which molecular interaction (MI) terms refer to dierct binary interaction detection techniques?

I am currently researching protein pairs that engage in direct binary interactions. My primary sources of information are databases such as STRING, where experimental evidence is often annotated with ...
kate allerton's user avatar
0 votes
0 answers
28 views

Protein-Protein Simulation using Gromacs

Can we do protein-protein simulation through Gromacs? if yes, can anyone teach me the correct procedure to get this done. Thank you,
Mahendra Singh's user avatar
1 vote
1 answer
117 views

ProteinPromt installation

i dont know how to build/pull this container (https://codebase.helmholtz.cloud/proteinprompt/ProteinPrompt) can you advice me how to install it? EDIT: My soft - Ubuntu 20.04 lts Thanks to @M__ I ...
MTG's user avatar
  • 147
0 votes
1 answer
30 views

How can I extract the Protein distance map data in Julia?

I calculated the distance between C-alphas using Julia, but there is no way to extract distance map data from Julia. I don't even know the data file form, png or csv or etc. I don't want to extract it ...
bamblebee's user avatar
4 votes
1 answer
377 views

Why do we need to find minimum energy in a protein chain?

High–quality protein backbone reconstruction from alpha carbons using Gaussian mixture models The above research paper is about a software tool for reconstructing a protein's main chain model only ...
user366312's user avatar
1 vote
1 answer
101 views

How can I clean a PDB file using VMD or NAMD?

I have 3884 PDB files generated by pd2_ca2main. PD2 CA2main is server for reconstructing the backbone of Calpha proteins using Gaussian mixture models. All of these files have duplicate atoms or ...
user366312's user avatar
1 vote
0 answers
38 views

Cytoscape for coloring the nodes in the network

I need to color different categories of the proteins in the interaction network automatically. Is there any way to color each category with a different color in cytoscape? or R? My input is 2 column ...
Nithya Chandramohan's user avatar
2 votes
0 answers
36 views

What is coarse-grained modeling of proteins?

I need beginner-level study materials for coarse-grained modeling of proteins. Can anyone supply me with entry level resources besides the Wikipedia article? Background Coarse grain protein modelling ...
user366312's user avatar
0 votes
0 answers
21 views

Build protein-protein interaction prediction deep learning model

I'm an undergraduate biology student and my thesis is on designing a deep learning architecture to predict whether two proteins interact or not given their primary sequences. I have read some papers ...
Anh Vu Tien's user avatar
0 votes
1 answer
743 views

PyMol: Output Polar Contacts Between Chains to Text File

I am new to PyMOL but have a very specific task that I need to do. I have a PDB structure file of protein homo-oligomer, and I want to use PyMol to determine polar contacts between chain A and all ...
Berk Yalcinkaya's user avatar
2 votes
0 answers
38 views

Why isn’t ace2 included in SARS‑CoV‑2 PPI map?

I'm doing my master's thesis on drug repositioning for SARS‑CoV‑2 using AI more specifically network medicine, I found only one human protein-protein interactions (PPIs) map from Gordon et al. The ...
hpPh's user avatar
  • 21
3 votes
0 answers
54 views

How to access XL-MS raw data and databases?

I'm looking for databases and/or raw data of protein mass spectrometry experiments. After reviewing xlinkdb and Proxl, I was curious to learn about other alternatives and options that allow users to ...
0x90's user avatar
  • 1,427
3 votes
1 answer
58 views

Why is there a chloride ion in this 3D model?

Here we have a 3D model of a sequence that match with this sequence VVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQYIK in Blast the 3D structure is here Why is there a chloride ion in this 3D model?
Milla's user avatar
  • 153
1 vote
0 answers
23 views

How do protein-protein interaction databases work?

I am a student and just trying to gain a base level understanding of PPI databases and how to interpret their data. For example, when inputing multiple genes into String, does it only give protein-...
DN1's user avatar
  • 45
0 votes
1 answer
159 views

What's the difference between Barycenter Centrality and Closeness Centrality (Freeman)?

What's the difference between Barycenter Centrality and Closeness Centrality (Freeman)? Barycenter scores are calculated as 1 / (total distance from vertex v to all other vertices) in a strongly ...
黃家億's user avatar
  • 103
1 vote
1 answer
130 views

Outputting crunchable list of HBonds from Pymol

X-posted from the Main Stack Overflow because folks here are possibly more familiar with PyMol(?) I have been trying to assess the strength of an interface I want to mutate using Pymol. What I am ...
LauraCZD's user avatar
0 votes
2 answers
319 views

Difference between PPI networks and Gene Co-expression networks

What exactly is the difference between protein-protein interaction (PPI) networks and gene co-expression networks? Based on my rudimentary understanding, PPIs are constructed from gene co-expression ...
An Ignorant Wanderer's user avatar
1 vote
2 answers
228 views

Can I automate CLUSTALO and output alignment sequence identity?

I've detected homology between targets of ligands in drugbank and proteins in the proteome of a pathogen. I've parsed the output very rudimentary and calculated my query coverage. This exists in an ...
Mike 's user avatar
  • 21
2 votes
1 answer
618 views

How to calculate lipophilicity of proteins?

The question says it all. I want to calculate lipophilicity of proteins to screen the compounds out for antigen-antibody interactions.
Nurlybek Amangeldiuly's user avatar
0 votes
2 answers
154 views

What is the best way to start with Structural bioinformatics with zero prior experience? [closed]

My undergraduate thesis is on the topic "Ligand design from protein-protein interfaces" and my PI has asked me to learn the basics of Structural bioinformatics over the summer so that I'll be able to ...
iamakhilverma's user avatar
1 vote
1 answer
87 views

Post docking evaluation

What to do after protein-ligand docking? Is there any necessary or enhancement step recommended after docking to validate the confirmation of highest score is the best? For your information, I am ...
Zheng Keong Ng's user avatar
3 votes
3 answers
1k views

Receptor-ligand database

How can I find ligands of receptors (or vice versa)? For example, I want to find the receptors of IL-8 (CXCL8).
Peter's user avatar
  • 2,624
0 votes
1 answer
175 views

How to calculate Gene Ontology terms in python

I am testing different Protein-Protein Interaction networks alignment tools. I observed that all alignment tools show some ...
Mani's user avatar
  • 109
4 votes
1 answer
346 views

Machine learning using protein-sequences

I'm participating in a bioinformatics machine-learning seminar at my university. The main task is predicting binary classification of protein-protein interactions using sequence data as input. One ...
Olli B.'s user avatar
  • 43
1 vote
0 answers
13 views

"No records to view" error in the "Drug and Drug Target Mapping" PDB's search engine

I'm using the "Drug and Drug Target Mapping" search engine (http://www.rcsb.org/pdb/ligand/drugMapping.do). I've noticed that there are some drugs (generic names) that if they appear in the ...
Adrian Smith's user avatar
3 votes
2 answers
435 views

pvalue calculation of protein-protein network with permutation test

Note: this question has also been asked on Biostars I have performed a network recreation analysis based on the interactions of proteins from String db. I wanted to know if the interactions have ...
user3698773's user avatar