10.6084/m9.figshare.c.3619823_D2.v1
Javier Garcia-Perez
Javier
Garcia-Perez
Isabelle Staropoli
Isabelle
Staropoli
StĂŠphane Azoulay
StĂŠphane
Azoulay
Jean-Thomas Heinrich
Jean-Thomas
Heinrich
Almudena Cascajero
Almudena
Cascajero
Philippe Colin
Philippe
Colin
Hugues Lortat-Jacob
Hugues
Lortat-Jacob
Fernando Arenzana-Seisdedos
Fernando
Arenzana-Seisdedos
Jose Alcami
Jose
Alcami
Esther Kellenberger
Esther
Kellenberger
Bernard Lagane
Bernard
Lagane
Additional file 4: of A single-residue change in the HIV-1 V3 loop associated with maraviroc resistance impairs CCR5 binding affinity while increasing replicative capacity
Springer Nature
2015
HIV-1
AIDS
HIV entry
HIV replication capacity
CCR5
CD4
gp120
Maraviroc
Resistance
Allosteric inhibitor
2015-06-18 05:00:00
Journal contribution
https://springernature.figshare.com/articles/journal_contribution/Additional_file_4_of_A_single-residue_change_in_the_HIV-1_V3_loop_associated_with_maraviroc_resistance_impairs_CCR5_binding_affinity_while_increasing_replicative_capacity/4390244
Figure S3. Structure and dynamics of free V3 from the MVC-Sens (grey) or MVC-Res (black) isolates. (A) Time series of root mean square deviation (RMSD) values for all atoms of the V3 loops, using as reference the average coordinates computed from the five independent simulations. (B) The phi and psi angular fluctuations were calculated and averaged by residue for every 25 ps segment of the five molecular dynamics trajectories. Standard deviations are reported for phi (top) and psi (bottom) backbone torsion angles. (C) The average RMS fluctuations (RMSF) were calculated for the carbon alpha atoms of the V3 loop residues from the ensemble of structures after superimposition of residues 296 to 330 (complete V3 loop, plain lines) or superimposition of residues 308 to 315 (V3 tip, dotted lines).