Figure 2
|
2A
|
(R) and (S) 2-bromo-butane, small molecule exported from VMD
|
2B
|
PDB entries 1vyq and 1fjl exported from VMD
|
2C
|
Bacteriophage attached to host membrane from EDMB 9010, exported from VMD
|
2D
|
Xray electron density and modeled peptide from PDB 3hyd, exported from VMD as an interactive app
|
2E
|
Frontier molecular orbitals of BH3 and NH3, exported from VMD as an interactive app
|
2F
|
An amphipathic protein alpha helix
|
2G
|
Load any molecule in PDB format - [Video]
|
Figure 3
|
3A
|
Two small molecules, with clash detection and emulation of proton transfer - [Video]
Variation for phones, that vibrates upon clashes [Link] - [Video]
|
3B
|
Emulation of a Diels-Alder reaction - [Video with explanations] - [Video update with better graphics]
|
3C
|
On-the-fly calculation of pseudocontact shifts - [Video]
|
Figure 4
|
4A
|
SAXS profile of two interacting proteins - [Video with explanations] - [Video update with better graphics]
|
4B-C
|
Mapping of contact predictions between two proteins
|
Figure 5
|
5A-C
|
Two proteins joined by a highly flexible linker - [Video] - [Video update with better graphics]
|