Merge pull request #121 from volkamerlab/ds-t025-kinsim-kissim

T025 Kinase similarity: KiSSim fingerprint
volkamerlab · Aug 24, 2021 · 878ad38 · 878ad38
2 parents 57ce05f + 68d9039
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diff --git a/...ials/T0xx_kinase_similarity_xxx/README.md → ...s/T025_kinase_similarity_kissim/README.md b/...ials/T0xx_kinase_similarity_xxx/README.md → ...s/T025_kinase_similarity_kissim/README.md
diff --git a/...T0xx_kinase_similarity_xxx/data/README.md → ...5_kinase_similarity_kissim/data/README.md b/...T0xx_kinase_similarity_xxx/data/README.md → ...5_kinase_similarity_kissim/data/README.md
diff --git a/teachopencadd/talktorials/T025_kinase_similarity_kissim/data/frozen_structure_klifs_ids.csv b/teachopencadd/talktorials/T025_kinase_similarity_kissim/data/frozen_structure_klifs_ids.csv
diff --git a/...opencadd/talktorials/T025_kinase_similarity_kissim/data/kinase_distance_matrix_kissim.csv b/...opencadd/talktorials/T025_kinase_similarity_kissim/data/kinase_distance_matrix_kissim.csv
@@ -0,0 +1,10 @@
+,BRAF,CDK2,EGFR,ErbB2,KDR,LCK,MET,p110a,p38a
+BRAF,0.0,17.156338686753887,19.515299484883034,21.382787595771614,21.089164552869708,21.582681844181142,20.297483020671486,37.61086252438263,21.73142143717456
+CDK2,17.156338686753887,0.0,18.146634315220403,21.106349112675172,19.880466907012618,17.972924805354655,18.304287545534248,36.78007102947219,19.480656386198007
+EGFR,19.515299484883034,18.146634315220403,0.0,16.391994226150114,17.28165001676286,16.467224894268252,17.498394567945827,36.04620732877459,22.12761688356271
+ErbB2,21.382787595771614,21.106349112675172,16.391994226150114,0.0,23.850591780152264,23.88097026329463,22.563235671308735,41.277474125565234,24.68170843658602
+KDR,21.089164552869708,19.880466907012618,17.28165001676286,23.850591780152264,0.0,19.25489849284598,20.430532117581084,41.104454960305326,20.26254051064599
+LCK,21.582681844181142,17.972924805354655,16.467224894268252,23.88097026329463,19.25489849284598,0.0,19.221161302580736,39.02201780223324,22.45669271712331
+MET,20.297483020671486,18.304287545534248,17.498394567945827,22.563235671308735,20.430532117581084,19.221161302580736,0.0,39.41427751663535,21.982654782895654
+p110a,37.61086252438264,36.78007102947219,36.04620732877459,41.277474125565234,41.104454960305326,39.02201780223324,39.41427751663535,0.0,38.52974786964488
+p38a,21.73142143717456,19.480656386198007,22.127616883562684,24.68170843658602,20.26254051064599,22.45669271712331,21.982654782895654,38.52974786964488,0.0
diff --git a/teachopencadd/talktorials/T025_kinase_similarity_kissim/data/kissim_fingerprints.csv b/teachopencadd/talktorials/T025_kinase_similarity_kissim/data/kissim_fingerprints.csv
diff --git a/...xx_kinase_similarity_xxx/images/README.md → ...kinase_similarity_kissim/images/README.md b/...xx_kinase_similarity_xxx/images/README.md → ...kinase_similarity_kissim/images/README.md