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Matter Modeling
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BND
  • Member for 4 years, 7 months
  • Last seen more than a month ago
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Top posts
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question
19
Computational tool for identification of activity cliff
Apr 29, 2020
question
16
Which modelling package currently implements an AI derived force field?
Oct 8, 2020
question
12
How much of a difference in a protein's radius of gyration can be considered significant?
Aug 20, 2020
question
8
Docked pose and energy minimization
Jun 18, 2020
question
7
Protonation state of pdb ligand
Aug 23, 2020
question
7
Should one normalize the "features" in binary fingerprints? [closed]
Feb 3, 2021
question
7
Is it required to sample the full reaction coordinate in umbrella sampling?
Jul 24, 2020
answer
6
What are the factors to consider before docking 2 proteins?
Jul 25, 2020
question
6
How to extract specific frames/model from a multi model pdb file?
Oct 6, 2021
question
6
How to look for specific structural motifs in proteins? [closed]
Oct 27, 2021
Top network posts
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14
Change conda default pkgs_dirs and envs dirs
6
Where to find compounds IC50 on an enzyme?
6
How to convert CAS ID to SMILES
5
How to Convert a Jupyter Notebook to an Academic Paper Format?
5
How to change Jupyter Notebook (Windows) shell to bash