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## New Use Case
Aspect | Detail
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Summary | C1997 (Platforms providing web-access to molecular level tools for guiding systems level modelling)
Usecase Group | Molec…
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Hello,
I am attempting to simulate the melting of a 9bp DNA duplex; I would like to estimate its melting temperature under a variety of conditions. I have been basing my simulations on the RNA Dupl…
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https://github.com/torchmd/torchmd/blob/78063fb38ec0cff366a7d42361947e62efe8112d/torchmd/wrapper.py#L4C1-L30C59
I am using TorchMD to run molecular dynamics simulations. I have a question regarding t…
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Dear David,
I hope this message finds you well.
I am encountering problems while generating the combinatorial pharmacophore library. I have successfully acquired the super_pharmacophore.pml file…
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COLL Dataset is a dataset of molecular dynamic simulations of molecular collisions. The dataset contains energies and forces of a random snapshot of 140, 000 collision simulations of molecules. It was…
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## New Use Case
Aspect | Detail
------------ | -------------
Summary | C1997 (Platforms providing web-access to molecular level tools for guiding systems level modelling)
Usecase Group | Molec…
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https://www.mdpi.com/1099-4300/20/5/318/htm
kntkb updated
2 years ago
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**Project Lead**:
Alfredo Quevedo - @alfredoq
**Mentor**:
Gemma Turon - @gemmaturon
Welcome to OLS-9! This issue will be used to track your project and progress during the program. Please use…
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Velocity Verlet is the most used integration method and used in all/most molecular dynamics packages, physics simulations and games.
http://en.wikipedia.org/wiki/Verlet_integration#Velocity_Verlet