Topic: solvation Goto Github
Some thing interesting about solvation
Some thing interesting about solvation
solvation,Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.
Organization: becksteinlab
Home Page: https://hop.readthedocs.io
solvation,Solvent Accessible Surface Areas of Biomolecules and their Complexes
Organization: fraternalilab
Home Page: http://popscomp.org:3838
solvation,Parameter files for the GBSA implicit solvation model
Organization: grimme-lab
solvation,Solvent accessible surface area calculation
Organization: grimme-lab
solvation,Repository of the gromacstutorials webpage
Organization: gromacstutorials
Home Page: https://gromacstutorials.github.io/
solvation,Ion solvation free energy with spherical boundary conditions
User: jeff231li
solvation,Solvation Structure and Thermodynamic Mapping
Organization: kurtzmanlab
solvation,Python and Shell scripts related to the plots on the manuscript- Influence of Van der Waals Interactions on the Solvation Energies of Adsorbates at Pt-Based Electrocatalysts"
User: lauragranmar
solvation,Experimental and calculated small molecule hydration free energies
Organization: mobleylab
Home Page: http://www.escholarship.org/uc/item/6sd403pz
solvation,Experimental small molecule hydration free energy dataset
Organization: mobleylab
solvation,SI for Caffeine Solvation in Electrolyte Solutions.
User: shervoe-hansen
solvation,SI for polyethylene glycol solvation in NaCl solutions
User: shervoe-hansen
Home Page: https://hervoe.dk
solvation,SI for polyethylene glycol solvation in urea solutions
User: shervoe-hansen
Home Page: https://hervoe.dk
solvation,SI for the article named "Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects"
User: shervoe-hansen
solvation,SI for the article named "Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects"
User: shervoe-hansen
solvation,Absolute solvation free energy calculations with OpenFF and OpenMM
User: simonboothroyd
Home Page: https://simonboothroyd.github.io/absolv/
solvation,A Neural Network for evaluation of solvation free energy and enthalpy
User: vyboishchikov
Home Page: https://vyboishchikov.wordpress.com
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