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oai:figshare.com:article/33967472 2026-09-22T17:32:42Z category_1 category_4 category_915 category_12 category_21 category_873 category_734 category_64 portal_5 item_type_3 month_year_09_2026

<p>Summary of Ramachandran plot analysis for apo and holo CypA.</p> Zahra Aliabadi (25091249) Alireza Mohebbi (8898170) Biophysics Biochemistry Physical Sciences not elsewhere classified Cell Biology Biotechnology Chemical Sciences not elsewhere classified Biological Sciences not elsewhere classified Cancer various biological processes single dominant mode binding free energy pre &# 8209 coil &# 8209 108 &# 8211 2 persistent bonds site &# 946 potent cypa inhibitor existing cypa substate dual dynamic response 2 -&# 946 using molecular dynamics 1 &# 8211 1 &# 8209 xlink "> cyclophilin sangfa binding induces atom md simulations arg55 remains uninvolved &# 946 2 %) dynamic effects cypa ), apo cypa essential dynamics broader dynamics trans isomerase therapeutic intervention study explores secondary structure sangfa ), related diseases prolyl cis pivotal role picomolar potency md analyses local rigidification ligand forms key peptidyl hydrophobic contacts future efforts fold expansion distal loops diffuse fluctuations conformational ensemble bond network 100 ns 07 kcal <p>Summary of Ramachandran plot analysis for apo and holo CypA.</p> 2026-09-22T17:32:17Z Dataset Dataset 10.1371/journal.pone.0358847.t003 https://figshare.com/articles/dataset/_p_Summary_of_Ramachandran_plot_analysis_for_apo_and_holo_CypA_p_/33967472 CC BY 4.0