<s>
Molecular	B-Application
design	I-Application
software	I-Application
is	O
notable	O
software	O
for	O
molecular	O
modeling	O
,	O
that	O
provides	O
special	O
support	O
for	O
developing	O
molecular	O
models	O
de	O
novo	O
.	O
</s>
<s>
3D	O
Mouse	O
Poly	O
DNA	O
Pept	O
Cryst	O
Solv	O
Q	O
Dock	B-Application
Min	O
MM	O
QM	O
FF	O
QSAR	O
FBLD	O
FE	O
SN	O
Comments	O
Abalone	B-Application
Biomolecular	O
graphics	O
environment	O
:	O
macromolecule	O
builders	O
,	O
GPU	B-Algorithm
accelerated	I-Algorithm
MD	I-Algorithm
AMBER	B-Device
Classical	O
molecular	O
modeling	O
program	O
Ascalaph	B-Application
Designer	I-Application
Common	O
molecular	O
modeling	O
suite	O
BOSS	B-Application
OPLS	B-Algorithm
inventor	O
Discovery	B-Application
Studio	I-Application
Molecule	O
modeling	O
environment	O
for	O
both	O
small	O
and	O
macro	O
molecular	O
systems	O
DOCK	B-Application
DOCK	B-Application
algorithm	O
Firefly	B-Application
(	O
PC	B-Application
GAMESS	I-Application
)	O
Ab	O
initio	O
and	O
DFT	O
computational	O
chemistry	O
program	O
FoldX	B-Application
A	O
force	O
field	O
for	O
energy	O
calculations	O
and	O
protein	O
design	O
Lead	B-Application
Finder	I-Application
Molecular	O
docking	O
package	O
Materials	B-Application
Studio	I-Application
Software	O
environment	O
Molecular	B-Application
Operating	I-Application
Environment	I-Application
(	O
MOE	O
)	O
Platform	O
for	O
molecular	O
modelling	O
/	O
drug	O
discovery	O
applications	O
,	O
programmed	O
in	O
Scientific	O
Vector	O
Language	O
to	O
enable	O
application	O
customisation	O
and	O
development	O
Rosetta	O
(	O
RosettaCommons	O
)	O
A	O
suite	O
for	O
macromolecule	O
modeling	O
.	O
</s>
<s>
Key	O
advances	O
in	O
de	O
novo	O
protein	O
design	O
,	O
enzyme	O
design	O
,	O
ligand	O
docking	O
,	O
structure	O
prediction	O
SAMSON	B-Application
Computational	O
nanoscience	O
(	O
life	O
sciences	O
,	O
materials	O
,	O
etc	O
.	O
</s>
