SI2012 Participants

From NBCRwiki

Jump to: navigation, search

Full Participant Information can be found here: info

Sally Ellingson, highly parallelized autodock virtual screening on supercomputers using MPI. attempting to support multiple conformations or multiple targets, and considering using AutoDock Vina.

Jason Harrison, identify human estrogen receptor alpha protein inhibitors and/or P450 metabolites. Familiar with MD and MOE.

Thomas Albers, identify glutamate transporter and neutral amino acid transport inhibitors. familiar with NAMD/VMD.

Brendan Amer and Alex Jacobitz, identify Staph aureus sortase inhibitors. Interested in RCS based virtual screening. NMR and crystallography background.

Adam Wynsberghe, mixed MD/BD using NA; development of docking education course. McCammon lab alumni.

Yi-Liang Liu and Wei Zhu, drug discovery against Plasmodium GGPPS and human FPPS. Crystallography background. Average to good background with NAMD and VMD.

JC Gumbart, antibiotic development in pathogens. Schulten lab alumni.

Dan Wang, MD simulation of TnC mutants.

Vivek Garg, hERG channel activator.

Sandra Pineda, cTnI and cTnC drug candidates, NMR background.

Pek Ieong, Francesca Bardinelli - CompChemBioCamp students.

Personal tools