Version 20.2 by richtesn on 2021/06/14 10:56
Show last authors
1 (% class="jumbotron" %)
2 (((
3 (% class="container" %)
4 (((
5 = Molecular Tools:
6 protein association rates and binding sites =
7
8 This collab contains a set of tools and tutorials for exploring protein binding properties based on their electrostatics and estimation of protein-protein association rates
9
10 Authors: Neil Bruce, Daria Kokh, Stefan Richter, Rebecca Wade
11 )))
12 )))
13
14 (% class="row" %)
15 (((
16 (% class="col-xs-12 col-sm-8" %)
17 (((
18 = What can I find here? =
19
20 Please note, the corresponding usecases as jupyter notebooks will be transferred from Collaboratory 1. So far they can be found here: 
21 [[https:~~/~~/collab.humanbrainproject.eu/#/collab/1655/nav/362934>>https://collab.humanbrainproject.eu/#/collab/1655/nav/362934]]
22
23 The corresponding guidebooks can be found here:
24 [[https:~~/~~/collab.humanbrainproject.eu/#/collab/1655/nav/18580>>https://collab.humanbrainproject.eu/#/collab/1655/nav/18580]]
25
26 The descriptions of
27
28 * (((
29 Tools and tutorials that describes how to:
30
31 * simulate protein-protein association  using Brownian Dynamics (BD)  simulations (web server webSDA)
32 * analyse the results of a Brownian dynamics simulation for calculating protein-protein association rate constants
33 * compute protein electrostatic potential (under development)
34 * (((
35 compare the electrostatic potentials surrounding a set of protein  isoforms or specific regions with multipipsa (under development)
36 )))
37 * (((
38 identify potential protein binding sites by comparing the electrostatic potentials of a set of protein isoforms (under development)
39 )))
40 )))
41
42 = Who has access? =
43
44 All EBRAINS users
45 )))
46
47
48 (% class="col-xs-12 col-sm-4" %)
49 (((
50 {{box title="**Contents**"}}
51 {{toc/}}
52 {{/box}}
53
54
55 )))
56 )))