Table I.

Summary of the Atomistic Simulations of eIF4E-Peptide Complexes Performed in This Work

Parent protein	PDB ID	Organism	Peptide length	Description	Simulation length
eIF4GI	1RF8	S.c.a	14 aa	MD, explicit solvent, starting from NMR model #1	50 ns
eIF4GI (D5S)	4AZA	H.s.a	14 aa	MD, explicit solvent, starting from crystal structure of mutated 4G-derived peptide	50 ns
4E-BP1	1WKW	H.s.a	20 aa	MD, explicit solvent, starting from crystal structure	50 ns
4E-BP2	3AM7	H.s.a	19 aa	MD, explicit solvent, starting from crystal structure	50 ns
eIF4GII	1EJH	M.m.a	16 aa	MD, explicit solvent, starting from crystal structure	50 ns
CYFIP1	3PC8	H.s.a	18 aa	MD, explicit solvent, starting with CYFIP1p aligned to 4E-BP1p in 1WKW	100 ns
CYFIP1	3PC8	H.s.a	18 aa	BEDAM parallel simulation, 144 replicas, starting from CYFIP1p aligned to protein-protein docking structure from Ref. 32	1.6 μs
CYFIP1	3PC8	H.s.a	18 aa	MD, explicit solvent, starting from BEDAM-predicted structure of the CYFIP1p-eIF4E complex above	50 ns

^aS.c., Saccharomyces cerevisiae; H.s., Homo sapiens; M.s., Mus musculus.