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A computational model is a mathematical model in computational science that requires extensive computational resources to study the behavior of a complex system by computer simulation.

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Homology modelling of protein with two identical subunits in its quaternary structure

I am using homology modelling to assign the 3D structure of Torpedo acetylcholine receptor (Unwin 2004, 2bg9 in RCSB) to human muscle nAChR. The problem is, both Torpedo receptor, and human receptor ...
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Can cognitive functioning of the human brain change the physical state of the brain?

Can cognitive functioning of the human brain change the physical state of the brain? E.g. does self-awareness, self-reflection change the number of neurons or synapses among neurons? I.e. I am trying ...
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25 views

How does collaboration on reconstructing metabolic networks work?

I am a researcher in psychology and I am trying to come up with a framework/platform in which psychological phenomena can be studied from a dynamical systems / computational perspective in ...
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Looking for references on protein activity prediction

My colleagues have measured Kcat for 29 mutants of a certain enzyme and they've studied the possible impact of those mutations on the protein's physicochemical properties through computational models. ...
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61 views

Using evolutionary algorithms in molecular biology? [closed]

I am currently an MSc student studying molecular biology (on paper I'm a chemist) and soon I have to talk to my supervisor about my future, PhD research topic. Besides molecular biology I'm also ...
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34 views

Could you train a monkey to behave like 'Langton's Ant'?

Langton's ant (see Wikipedia) is a model of a Universal Turing machine with simple rules. In theory it could carry out any computation. Could you train a monkey or ape to carry out the rules of ...
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119 views

How to correlate survival probability to gene expression profile?

I am reading up survival analysis of cancer patients and correlating them to gene expression. I came across this tutorial. Its mostly code. So what I still have not been able to understand is how ...
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15 views

Query regarding survival analysis

In accordance to this link, in the log rank test table, 1. How can the month of death be smaller than the month of last contact? 2. Why does the column month of last contact not have all values like ...
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1answer
52 views

Calcium concentration in activated dendritic spines?

What are the typical calcium levels reached in single postsynaptic spines following activation of NMDA receptors by an EPSP or backpropagating spike? Everyone seems to refer to that one Neuron paper (...
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49 views

Why Differential equation is not a good way to model chemical reaction networks [closed]

I'm a computer scientist and mostly code and have worked with Boolean models of cell level molecule transfer. Now i'm reading about the Biological pathways and modelling chemical reaction networks / ...
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1answer
89 views

Effect and functional role of voltage-gated channels on dendrites [closed]

I'd like to understand better the effect and functional role of voltage-gated channels on dendrites. What I believe to have understood: It is important that a more distal post-synaptical potential (...
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0answers
37 views

3D Object Modelling in the Brain

Could somebody point out the neuroscience literature dedicated to the modelling of 3D objects in the human mind? I'm interested in the brain regions, and particularly the details of the circuitry, ...
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2answers
71 views

How do you derive steady-state conditions from the open-state differential equation of ion channels?

My books describes this differential equation for the open state of an ion channel: Where $k$ are the rate constants, $k_1$ denotes a forward reaction $k_{-1}$ denotes a reverse reaction in the ...
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1answer
82 views

Spatiotemporal patterns in neural networks

It turns out that my work in nonlinear dynamics directly maps to a close variant of the Integrate and Fire model. My model produces spatiotemporal patterns that resemble foam. I have to stress that ...
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1answer
74 views

white blood cells and cancer cells transport through lymphatic vessels

It is a well-known fact that both of these cells can reach the lymphatic vessels from interstitial space. How does it do so physically? Are there any mathematical models describing this process? It ...
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1answer
91 views

Success of computer simulations in biology, new discoveries [closed]

In an interview with Tim Hunt, Hunt makes the following comment: There are some people nowadays who think you can sort of model everything on a computer. But I'm not one of those. I don't think ...
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66 views

What is neuronal computation? [closed]

Can someone give me a good explanation of what is neuronal computation and some examples of its use in neuroscience investigation?
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159 views

Are neurons roughly a magnetic dipole?

I would like to make a simulation (concerning genetic evolution) and I want to use a very simplistic model of neurons. I don't really care there are different kinds of neurons, I don't care much ...
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1answer
60 views

Number of Bacteria

I am creating a mathematical model for the growth of Synechocystis. sp PCC 6803 and Methanosarcina barkeri Fusaro in photobioreactors and anaerobic membrane bioreactors respectively. I have a couple ...
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16 views

Is there any online resource containing numerical data corresponding to diffusion within the brain?

I am trying to do a mathematical model of the spread of brain cancer using anisotropic diffusion. For this, I'm using the idea of a diffusion tensor: basically, I'm dividing the 3D brain into ...
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2answers
94 views

Can two arms-racing species be stabilized?

I am trying to build an evolution simulator in which there is group A and group B, each group has 9 members each generation. Each generation, each member of group A will enter a competition (in the ...
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49 views

Computer simulation of Blood groups genetics

Hello Biology community I'm a Computer Science student and I'd like to create a logic circuit that can (with the maximum possible precision) simulate how blood group inheritance works between parents ...
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1answer
133 views

Phylogenetic algorithms: How to interpret multiple ML trees from the same dataset?

There's still something that confuses me about how many of these algorithms work, and how results are presented in the literature. Let's consider a Maximum Likelihood based algorithm like MrBayes or ...
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1answer
110 views

Do free computer programs exist that can simulate drug permeability in bacterial membranes?

I am currently trying to make derivatives of a molecule in hopes of making it more permeable to bacterial membranes. I wanted to know whether there are any bacterial membrane simulating programs where ...
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46 views

Olympic's epidemiological impact on Zika?

I've seen a lot of fear mongering, misinformation and overall general panic concerning the zika virus surrounding the Rio Olympics. However, little has been said about the actual epidemiological ...
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What was the first piece of work in computational biology?

What was the first piece of work in computational biology? I'm ideally looking for a paper. I am not interested in works that involve data management or data analysis but work that model biological ...
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Scoring matrices (BLOSUM & PAM) in BLAST and other sequence-comparison programs

The Wikipedia page on BLAST states that: The scores are created by comparing the word in the list in step 2* with all the 3-letter words. By using the scoring matrix (substitution matrix) to score ...
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How can I perform a 1:1 sequence-structure alignment for a pdb template dimer and homologous dimer sequence?

I have: 1. A PDB dimer protein structure template of a real solved protein. 2. An unsolved, but highly homologous dimer protein (>90% sequence identity.) How can I use MODELLER to make a theoretical ...
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1answer
302 views

Examples of biological turing machines [closed]

Are there any examples of biological Turing machines? And what can they do?
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86 views

Where to go next with clustered C elegans neuronal time series

I'm doing some independent research with the C Elegans nervous system (with the OpenWorm project) and was looking for some guidance as to where I should go next. Right now, I'm dealing with calcium ...
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171 views

A good software for agent based modelling?

Hello i'm gonna start my master degree in systems biology and i'm thinking of working with agent based modelling, but i really don´t know which platform can be the best to simulate interactions ...
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36 views

Need to solve a “pseudo-metabolic” network for rates

following problem: I have data on a certain complex association network (from monomers 1 ... 8 to complexes of all combinations, such as, 12 ... 13 ... 18 and so on until 12345678, so that I know ...
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2answers
372 views

Is it possible to create a restriction map using python? [closed]

I have some fragments of DNA from single and double digests using three different restriction enzymes. I'm trying to construct a restriction map of a linear fragment of DNA. The map needs indicate the ...
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65 views

How many residues can a reliable ab initio structural model contain?

A recent question on ab initio that I answered involved touching on the limitations of ab initio modelling. A review from 2009 put forward that typically only in the order of 100-110 residues could be ...
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1answer
101 views

Can exhaustive algorithms produce MSAs that are suitable for 3D structure modelling?

While predicting 3D structure of a protein through homology modelling, the most important step is Multiple Sequence Alignment of template sequences with the target protein whose 3D model is to be ...
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201 views

What are some useful (starter) metrics to use on phylogenetic trees?

I'm doing a computational biology project in which I simulate evolution under different inheritance rulesets and I am generating phylogenetic trees (beautifully visualised in Python with ete3). My ...
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What are we missing about the real workings of the evolutionary process? [closed]

As a scientist (and a computer scientist at that) my view is that if we cannot simulate a process we have not understood it properly. I have been following the interesting field of Artificial Life for ...
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Values of Miu_max and Ks from parameter estimation?

Background I have this simple biomass growth model: $$ \mu = \mu_{max}\cdot \left(\frac{S}{K_S+S}\right) \cdot \left(\frac{1}{1+S/K_{iS}}\right) \cdot \left(\frac{K_{iP}}{K_{iP}+P}\right) \\ \frac{...
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1answer
97 views

how to solve gap reactions in genome scale metabolic reconstruction [closed]

I'm making a project about modeling of nannochloropsis metabolism. My model is in the refinement stage. However, it is not running in the FBA test. Then i found there are 87 reactions that did not run....
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2answers
127 views

Problems in optimisation with applications to biology? [closed]

I will soon have around 8 weeks to do a research project of my choosing as I am finishing my undergrad in computer science. My experience is mostly in optimisation algorithms (mostly combinatorial/...
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1answer
49 views

Bioinformatics - DNA binding, sequence-specific protein data

I am a computer scientist and we are working on protein function prediction algorithms. Right now, we would like to examine protein-DNA binding properties computationaly. For this, we would make use ...
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1answer
64 views

Hodgin-Huxley model for a single neuron - continuation

As continuation to This question I have posted. Another set of questions is given for the same model : This time it is also given that for $t<0$ the membrane potential is $u_0$, and at $t=0$ it ...
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1answer
126 views

Hodgin-Huxley model for a single neuron

I am viewing (through edX ) an introduction course to computational neuroscience. In the second lecture, the Hodgin-Huxley model is considered. I am going over some of the questions and have ...
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1answer
374 views

Forward versus backward numerical simulations in population genetics

My question is closely related to this post. There are a number of existing platforms to perform numerical individual-based simulation in populations genetics. An almost exhaustive list of such ...
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1answer
156 views

Has anyone modelled calcium oscillations using Matlab software? [closed]

I have been trying to model calcium oscillations using MatLab, but I cannot obtain the oscillation. I created a function where I put all the equations and used ode15s to call the function. I have ...
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3answers
2k views

120-year-old gene regulation problem independently solved by a computer. How?

My Background: I'm a mathematics graduate student with a physics background. I have a very little biology knowledge and a little knowledge of machine learning and statistics. Topic: I recently ...
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370 views

How can computer predictions of protein folding be verified computationally?

Currently, there is a lot of research focused on solving the folding patterns of proteins using computers (Folding@Home, https://fold.it/portal/, etc.). The question that I have is: How do you know ...
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What is the difference between a mechanistic and a statistical predictive model?

The simplest description of the difference between these two approaches that I have found are on this site who summarise the difference as: Mechanistic model: a hypothesized relationship between the ...
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1answer
155 views

Neural coupling between Pinsky-Rinzel (reduced Traub) neuron with a Wang-Buzsaki neuron?

I have read two papers related to modeling neurons. The first one is the paper by Pinsky and Rinzel and the second one by Wang and Buzsaki. The first mentioned neuron model is a excitatory neuron ...
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1answer
66 views

Multistability in the lactose ultization network

Reading the paper here, I'm confused about the production of figure 4d. The method of production is detailed in the supplementary information under the heading "Theoretical phase diagram". ...