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Student Participants

Charles Plate
Charles Plate 

Virgina Tech

Metadynamics to Investigate the Transport of D-Galactonate in DgoT

Mentors: Dr. Sanket A. Deshmukh (VT, USA), Professor Dr. Paolo Carloni (Forschungszentrum Jülich Carloni Lab)



 
Jacques Gay
Jacques Gay 

Georgia Institute of Technology

Application of Multi-Mapping TFEP for High-Accuracy Binding Free Energies

Mentors: Dr. Lynn Kamerlin (GIT, USA), Professor Dr. Paolo Carloni & Dr. Andrea Rizzi (Forschungszentrum Jülich Carloni Lab)