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GHeinzelmannGHeinzelmann
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New files and table
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+67
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‎input_files/BRD4/README.md‎

Lines changed: 25 additions & 25 deletions

‎input_files/BRD4/mol2/Compound-8a.mol2‎ renamed to ‎input_files/BRD4/mol2/ligand-1.mol2‎

Lines changed: 1 addition & 1 deletion
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11
@<TRIPOS>MOLECULE
2-
Compound-8a
2+
BRD4, Ligand 1
33
26 28 1 0 0
44
SMALL
55
Current Charge

‎input_files/BRD4/mol2/Compound-3.mol2‎ renamed to ‎input_files/BRD4/mol2/ligand-10.mol2‎

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11
@<TRIPOS>MOLECULE
2-
Compound-3
2+
BRD4, Ligand 10
33
45 48 1 0 0
44
SMALL
55
Current Charge

‎input_files/BRD4/mol2/Compound-4.mol2‎ renamed to ‎input_files/BRD4/mol2/ligand-2.mol2‎

Lines changed: 1 addition & 1 deletion
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11
@<TRIPOS>MOLECULE
2-
Compound-4
2+
BRD4, Ligand 2
33
28 30 1 0 0
44
SMALL
55
Current Charge

‎input_files/BRD4/mol2/XD1.mol2‎ renamed to ‎input_files/BRD4/mol2/ligand-3.mol2‎

Lines changed: 1 addition & 1 deletion
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11
@<TRIPOS>MOLECULE
2-
XD1
2+
BRD4, Ligand 3
33
51 53 1 0 0
44
SMALL
55
Current Charge

‎input_files/BRD4/mol2/Quinazolin.mol2‎ renamed to ‎input_files/BRD4/mol2/ligand-4.mol2‎

Lines changed: 1 addition & 1 deletion
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11
@<TRIPOS>MOLECULE
2-
Quinazolin
2+
BRD4, Ligand 4
33
22 23 1 0 0
44
SMALL
55
Current Charge

‎input_files/BRD4/mol2/Alprazolam.mol2‎ renamed to ‎input_files/BRD4/mol2/ligand-5.mol2‎

Lines changed: 1 addition & 1 deletion
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@@ -1,5 +1,5 @@
11
@<TRIPOS>MOLECULE
2-
Alprazolam
2+
BRD4, Ligand 5
33
37 40 1 0 0
44
SMALL
55
Current Charge

‎input_files/BRD4/mol2/RVX-208.mol2‎ renamed to ‎input_files/BRD4/mol2/ligand-6.mol2‎

Lines changed: 1 addition & 1 deletion
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@@ -1,5 +1,5 @@
11
@<TRIPOS>MOLECULE
2-
RVX-208
2+
BRD4, Ligand 6
33
49 51 1 0 0
44
SMALL
55
Current Charge

‎input_files/BRD4/mol2/Bzt-7.mol2‎ renamed to ‎input_files/BRD4/mol2/ligand-7.mol2‎

Lines changed: 1 addition & 1 deletion
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@@ -1,5 +1,5 @@
11
@<TRIPOS>MOLECULE
2-
Bzt-7
2+
BRD4, Ligand 7
33
37 40 1 0 0
44
SMALL
55
Current Charge

‎input_files/BRD4/mol2/RVX-OH.mol2‎ renamed to ‎input_files/BRD4/mol2/ligand-8.mol2‎

Lines changed: 1 addition & 1 deletion
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11
@<TRIPOS>MOLECULE
2-
RVX-OH
2+
BRD4, Ligand 8
33
42 44 1 0 0
44
SMALL
55
Current Charge

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