Estimated equilibration state and stability of MD simulation period of 200,000 pico second (200 nS) for complex structure (TCTP-EF1A1, EF1A1-RAN) evaluation.

Koo, Namjin; Shin, Ah-Young; Oh, Sangho; Kim, Hyeongmin; Hong, Seongmin; Park, Seong-Jin; Sim, Young Mi; Byeon, Iksu; Kim, Kye Young; Lim, Yong Pyo; Kwon, Suk-Yoon; Kim, Yong-Min

doi:10.1371/journal.pone.0232029.s014

pone.0232029.s014.docx (538.24 kB)

Estimated equilibration state and stability of MD simulation period of 200,000 pico second (200 nS) for complex structure (TCTP-EF1A1, EF1A1-RAN) evaluation.

journal contribution

posted on 2020-05-07, 09:16 authored by Namjin Koo, Ah-Young Shin, Sangho Oh, Hyeongmin Kim, Seongmin Hong, Seong-Jin Park, Young Mi Sim, Iksu Byeon, Kye Young Kim, Yong Pyo Lim, Suk-Yoon Kwon, Yong-Min Kim

Time evolutions of (A) total energy of TCTP-EF1A1 and EF1A1-RAN, (B) the backbone RMSD of TCTP-EF1A1 and EF1A1-RAN. Each graph (A, B) include A. thaliana, H. sapiens and P. berghei.

(DOCX)