Laboratory of Mihaly Mezei
| Software |
MMC:
Monte Carlo simulations: (T,V,N), (T,P,N),
(T,V,µ) ensembles;
free energy; Proximity Analysis | |||
Simulaid:
simulation setup utilities:optimal solute placement, conversions and analysis | ||||
Fullscreen and Dockres:
Virtual screening utilitiesand their analyses | ||||
Cham:
Search for chameleon sequences |
FOLD:
Protein foldability calculations | |||
CVdistr:
Molecular sphericity calculation |
CVshave: Protein shaving
| |||
PFP:
Protein fingerprint generation |
Pspace:
Protein space covering
| |||
Rescore:
ClusPro and PatchDock result analysis
|
Codon:
Codon usage statistcs
| |||
Atomc:
multi ensemble atomic fluid Monte Carlo |
Gibbs:
cavity-biased Gibbs ensemble Monte Carlo
| |||
Maxwell:
multipole expansion for fluid and
crystalline phase with the Maxwell formalism | ||||
Simloc:
detection of local similarities between
conformations | ||||
Intocham:
conversion from InsightII
to Charmm, Amber or Moil formats | ||||