word 5 new
TRANSCRIPT
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LIGAND.pdb
PROTEIN.pd
b
Buka
autodock>f
le>read
molecule>c
ari fle
protein >
open>!dro
"en > add
> polar onl!
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EDIT>#$AR
GE>ADD
%OLL&AN
%LI% LIGAND
> INP'T >
OPEN >
PILI$
LIGAND
EDIT >
#$ARGE >
GA(TIEGER
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LIGAND >
TOR(IAN
TREE >
DETE#
ROOT
LIGAND >
TOR(ION
TREE >
#$OO(E
TOR(ION
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GRID >
GRIDBO) >
#ENTER ON
LIGAND >
*ILE
>#LO(E
(A+ING
#'RRENT
GRID >
O'TP'T >
(A+E GP*
*ILE >
PRE*EREN#
E > (ET >
(TAR'P
DIRE#TOR,
>- *ILE %ITA
> DI(&I((
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R'N >
A'TOGRID
> BRO/(E
0 1 *ILE %ITA
> BRO/(E
2 1 *ILE #
PROG
*ILE(3&GL3A
'TO GRID >
LA'N#$
DO#%ING >
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ANAL,4E
%ON*OR&A
(I TERBAI%
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I%.
$,DROGEN
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A(PIRIN
#$E&DRA/
B'%A
A'TODO#%
A(PIRIN
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LIGAND
INP'T
A(PIRIN
LIGAND
TOR(ION
TREE DETE#
ROOT
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#$OO(E
GRIDBO)
A(PIRIN
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*ile
pre5ence
Rm6d
a6pirin
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Note a6pirin
Lo7e6t
ener"!
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Anal!8e
a6pirin
Ikatan
li"and an
protein
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H3C
N
N
CH3
Cl
3-(4-chlorophenyl)- N , N -dimethyl-3-(pyridin-2-yl)propan-1-amine
ctm
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