Research
in our group is focused on the
applications of
theoretical/computational
methods to chemical and
physical problems in biology and material
science.
Specific
research interests
are
- developments
of efficient
and reliable tools for membrane protein modeling
and studies of insertion, folding, and assembly of membrane
proteins
- NMR
&
X-ray structure refinement of proteins and protein-DNA complexes using
implicit solvent models
- ion
channel
activities such as ion permeation, selectivity, and gating at
molecular
level
- membrane
fusion
with simplified lipid molecules
- theoretical/methodological
developments with particular emphasis on implicit solvent models.
In
addition, we
are involved
in developing
the biomolecular simulation
program CHARMM, and CHARMM-GUI.
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