User BND - Matter Modeling Stack Exchange

BND

Member for 2 years
Last seen more than a week ago

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1,301

reputation

2k

reached

5

answers

12

questions

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3

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Constituent

Jun 16, 2020
Yearling

× 2

Apr 29

12

bronze badges

Self-Learner

Oct 18
Caucus

Jun 16, 2020
Curious

Aug 24, 2020

Top tags

proteins

9

Score

7

Posts

41

Posts %

docking

9

Score

4

Posts

24

Posts %

molecular-modeling

5

Score

3

Posts

18

Posts %

forcefields

5

Score

2

Posts

12

Posts %

molecular-dynamics

5

Score

2

Posts

12

Posts %

pdb

4

Score

2

Posts

12

Posts %

Top posts

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All Questions Answers

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19

Computational tool for identification of activity cliff

Apr 29, 2020

15

Which modelling package currently implements an AI derived force field?

Oct 8, 2020

12

How much of a difference in a protein's radius of gyration can be considered significant?

Aug 20, 2020

8

Docked pose and energy minimization

Jun 18, 2020

7

Protonation state of pdb ligand

Aug 23, 2020

7

Should one normalize the "features" in binary fingerprints? [closed]

Feb 3, 2021

7

Is it required to sample the full reaction coordinate in umbrella sampling?

Jul 24, 2020

6

How to extract specific frames/model from a multi model pdb file?

Oct 6, 2021

6

How to look for specific structural motifs in proteins? [closed]

Oct 27, 2021

6

Is this statement correct: "All structural variations are energy driven"? [closed]

Sep 20, 2020

Top network posts

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6

Where to find compounds IC50 on an enzyme?

5

Change conda default pkgs_dirs and envs dirs

5

How to Convert a Jupyter Notebook to an Academic Paper Format?