| Software | MMC: Monte Carlo simulations: (T,V,N), (T,P,N), (T,V,µ) ensembles; free energy; Proximity Analysis |
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Simulaid:
simulation setup utilities: optimal solute placement, conversions and analysis |
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Fullscreen: Virtual screening with
Autodock
or
eHiTS Dockres: Summarizing the results |
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| Gibbs: cavity-biased Gibbs ensemble Monte Carlo |
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| Maxwell: multipole expansion for fluid and crystalline phase with the Maxwell formalism |
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| Pspace: Planning the covering of a protein space |
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| PFP: Protein fingerprint generation |
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| Simloc: detection of local similarities between conformations |
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| Atomc: multi-ensemble atomic fluid Monte Carlo |
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| Intocham: conversion from InsightII to Charmm, Amber or Moil formats |
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