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To avoid long computational time, we restrict the total sequence length, the strand length, and the number of strands based on the coverage of the conformational ensemble:
(1) ≤300 nt for the ensemble of RNA secondary (without crossing base pairs) structures.
(2) ≤180 nt for the ensemble of RNA secondary and H-type pseudoknotted structures of the specific strand order (RNA 1 to RNA N).
(3) ≤150 nt for the ensemble of RNA secondary and H-type pseudoknotted structures of all the strand combinations.
(4) ≤9 strands for the total number of RNAs of the specific strand order (RNA 1 to RNA N).
(5) ≤5 strands for the total number of RNAs of all the strand combinations.
The thermodynamic parameters for loops/junctions are from the Vfold model and the parameters for base stacks, including mismatched base stacks, are from the Turner parameters (04 version) OR the MFOLD (2.3 version).
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References for VfoldMCPX:
[1] Zhang S, Cheng Y, Guo P, Chen SJ. VfoldMCPX: Predicting multistrand RNA complexes. RNA. 2022 Jan 20:rna-079020.
[2] Xu, XJ., Zhao, PN., Chen, SJ. (2014) Vfold: a web server for RNA structure and folding thermodynamics prediction. PLoS ONE doi: 10.1371/journal.pone.0107504.
[3] Cao, S, Xu, XJ., Chen, SJ. (2014) Predicting Structure and Stability for RNA Complexes with Intermolecular Loop-loop Base Pairing. RNA, 20:835-45. doi: 10.1261/rna.043976.113
[4] Cao, S. and Chen, S.-J. (2012) Predicting kissing interactions in microRNA-target complex and assessment of microRNA activity. Nucleic Acids Res. 40(10):4681-4690;
[5] Cao, S. and Chen, S.-J. (2011) Structure and stability of RNA/RNA kissing complex: with application to HIV dimerization initiation signal. RNA. 17: 2130-2143;
[6] Cao, S. and Chen, S.-J. (2006) Free energy landscapes of RNA/RNA complexes - with applications to snRNA complexes in spliceosomes. Journal of Molecular Biology 356: 292-312;
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