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modelmaker model
Inputs
template (complete)
sequence (complete)
number of model outputs
scoring type
optional
start resid + chainID for modeling
end resid + chainID for modeling
default s…
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Hi team,
Great work!
Just wonder instead of having to download the big Uniclust30 and PDB70, its it possible to run the "Multiple initial models mode" using one or two user-defined PDB crystal s…
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Introduction
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DeepChem's support for protein-based deep learning is still pretty early-stage. In this issue I propose a framework for adding support to DeepChem for doing more systemat…
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[Rosetta](https://www.rosettacommons.org/software) is a unique and powerful piece of software, but it appears like there isn't a current open source equivalent ([discussion](https://twitter.com/rbhar9…
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Dear all,
I am trying to create a pipeline to automate the binding energy calculation of several variants of a homotetrameric protein in complex with a medium/big-sized ligand (CoA). I haven't deci…
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I've been trying to optimize the speed of my simulations and the one issue I have found is the size of the membrane generated by ` modeller.addMembrane`. Depending on the diameter of my systems in the…
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Gelis et al (https://doi.org/10.1002/anie.201103980) make a very good case that residues A104, F206, V260, S263, S264, and T279 are involved in ligand binding of n-amyl butyrate in OR2AG1. The article…
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The Navier-Stokes equations, which describe the motion of fluid substances such as liquids and gases, are fundamental to the field of fluid dynamics. However, several challenging problems related to t…
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### Discussed in https://github.com/orgs/pi-base/discussions/817
Originally posted by **GeoffreySangston** October 21, 2024
(I apologize if this has already been discussed. I looked around and…
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Last year at BioITWorld I chatted to sofware vendors who had various snazzy 3D features with a view to them searching some OSM frontrunners. I have to say, beyond polite interest, traction was mor…