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Hydration detection software tools | Protein structure data analysis

Hydration largely determines solubility, aggregation of proteins and influences interactions between proteins and drug molecules. Despite the importance of hydration, structural determination of hydration structure of protein surfaces is still…
WATsite
Desktop

WATsite

Detects hydration sites using a molecular dynamics (MD) trajectory. WATsite…

Detects hydration sites using a molecular dynamics (MD) trajectory. WATsite intends to establish the thermodynamic profile of each hydration site by computing the enthalpy and entropy of the water…

WATCLUST
Desktop

WATCLUST

A water site (WS) determination and analysis tool running on the VMD platform.…

A water site (WS) determination and analysis tool running on the VMD platform. WATCLUST also allows direct transfer of the WS information to Autodock program to perform biased docking. It is ideally…

MobyWat
Desktop

MobyWat

Utilizes mobility as an information source for the prediction of hydration…

Utilizes mobility as an information source for the prediction of hydration structure. The necessary information can be produced by molecular dynamics simulations accounting for all atomic…

PyWATER
Desktop

PyWATER

An easy-to-use PyMOL plug-in and identifies conserved water molecules in the…

An easy-to-use PyMOL plug-in and identifies conserved water molecules in the protein structure of interest. PyWATER can be installed via the user interface of PyMOL. No programming or command-line…

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