Concepedia

Structure-inspired design of β-arrestin-biased ligands for aminergic GPCRs

John D. McCorvy, Kyle V. Butler, Brendan Kelly, Katie Rechsteiner, Joel Karpiak, Robin M. Betz, Bethany L. Kormos, Brian K. Shoichet, Ron O. Dror, Jian Jin,

Nature Chemical Biology · 2017 · 177 citations · 47 references

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47

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

Daniel R. Roe, Thomas E. Cheatham · Journal of Chemical Theory and Computation · 2013 · 7.6K citations

, , +16

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ<sub>1</sub> and χ<sub>2</sub> Dihedral Angles

Robert B. Best, Xiao Zhu, Jihyun Shim et al. · Journal of Chemical Theory and Computation · 2012 · 4.8K citations

, , +17

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

Romelia Salomón–Ferrer, Andreas W. Götz, Duncan Poole et al. · Journal of Chemical Theory and Computation · 2013 · 3.6K citations

, , +16

High-Resolution Crystal Structure of an Engineered Human β <sub>2</sub> -Adrenergic G Protein–Coupled Receptor

Vadim Cherezov, Daniel M. Rosenbaum, Michael A. Hanson et al. · Science · 2007 · 3.3K citations · Full text

, , +17