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projects:software [2020/03/06 14:39]
richter
projects:software [2020/03/06 14:41] (current)
richter
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 |  ^ Description ^ Input ^ Type ^ Main \\ Refer- \\ ence(s) ^ Link ^ |  ^ Description ^ Input ^ Type ^ Main \\ Refer- \\ ence(s) ^ Link ^
-^ TRAPP v4 | Tool for the analysis, \\ including druggability analysis, \\ of TRAnsient binding Pockets in Proteins ​ | Structures, Ligands, \\ Trajectories | Webserver |  (([[https://​pubs.acs.org/​doi/​10.1021/​acs.jcim.9b01185 | Druggability Assessment in TRAPP using Machine Learning Approaches]])) | [[https://​trapp.h-its.org|Run TRAPP analysis]] | +^ TRAPP v4 | Tool for the analysis, \\ including druggability analysis, \\ of TRAnsient binding Pockets in Proteins ​ | Structures, Ligands, \\ Trajectories | Webserver | (([[https://​pubs.acs.org/​doi/​10.1021/​acs.jcim.9b01185 | Druggability Assessment in TRAPP using Machine Learning Approaches]])) | [[https://​trapp.h-its.org|Run TRAPP analysis]] | 
-^ TRAPP v3 | Tool for analysis of transient \\ binding pockets in proteins ​ | Structures, Ligands, \\ Trajectories | Standalone Software | ([[https://​pubs.acs.org/​doi/​abs/​10.1021/​ci4000294 | TRAPP: A Tool for Analysis of Transient Binding Pockets in Proteins]])) | [[https://​www.h-its.org/​downloads/​trapp/​|Download TRAPP]] |+^ TRAPP v3 | Tool for analysis of transient \\ binding pockets in proteins ​ | Structures, Ligands, \\ Trajectories | Standalone Software | (([[https://​pubs.acs.org/​doi/​abs/​10.1021/​ci4000294 | TRAPP: A Tool for Analysis of Transient Binding Pockets in Proteins]])) | [[https://​www.h-its.org/​downloads/​trapp/​|Download TRAPP]] |
 ^ ::: | ::: | ::: | Webserver | (([[https://​academic.oup.com/​nar/​article/​45/​W1/​W325/​3744539 | TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets]])) | [[https://​trapp3.h-its.org|Run TRAPP analysis, old version]] | ^ ::: | ::: | ::: | Webserver | (([[https://​academic.oup.com/​nar/​article/​45/​W1/​W325/​3744539 | TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets]])) | [[https://​trapp3.h-its.org|Run TRAPP analysis, old version]] |
 ^ L-RIP / RIPLig | Two non-equilibrium MD approaches \\  for the  identification of \\ slow conformational changes of a \\ protein binding site​ | Protein structure | Standalone also \\ used within TRAPP |  (([[https://​pubs.acs.org/​doi/​abs/​10.1021/​acs.jctc.6b00101|Perturbation Approaches for Exploring Protein Binding Site Flexibility to Predict Transient Binding Pockets]])) ​ | [[http://​mcm.h-its.org/​lrip-riplig|L-RIP and RIPlig]] | ^ L-RIP / RIPLig | Two non-equilibrium MD approaches \\  for the  identification of \\ slow conformational changes of a \\ protein binding site​ | Protein structure | Standalone also \\ used within TRAPP |  (([[https://​pubs.acs.org/​doi/​abs/​10.1021/​acs.jctc.6b00101|Perturbation Approaches for Exploring Protein Binding Site Flexibility to Predict Transient Binding Pockets]])) ​ | [[http://​mcm.h-its.org/​lrip-riplig|L-RIP and RIPlig]] |
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