Keyphrases
G Protein-coupled Receptor
100%
Bell
100%
Residence Time
100%
Dissociation Kinetics
100%
Ligand-targeted
100%
Steered Molecular Dynamics
100%
Binding Thermodynamics
66%
Scientific Community
33%
Molecular Simulation
33%
Drug Development
33%
Protein Family
33%
Mutagenesis Studies
33%
Drug Efficacy
33%
Binding Affinity
33%
Binding Pocket
33%
Receptor-interacting Protein Kinase 1 (RIPK1)
33%
Drug Candidates
33%
Structure-guided mutagenesis
33%
Non-equilibrium
33%
Optimization Approach
33%
Simulation Approach
33%
Efficacy in Vivo
33%
Hotspot Residues
33%
Screening Drugs
33%
Drug-target Residence Time
33%
Adenosine A2A Receptor (A2AR)
33%
Steered Molecular Dynamics Simulation
33%
Ligand Binding Energies
33%
Ligand Unbinding
33%
Biochemistry, Genetics and Molecular Biology
Dynamics
100%
G Protein Coupled Receptor
100%
Retention Time
100%
Ligand Binding
75%
Drug Screening
25%
Binding Affinity
25%
Agonist
25%
Mutagenesis Study
25%
Protein Family
25%
Binding Energy
25%
Drug Efficacy
25%
Adenosine A2A Receptor
25%
Computer Simulation
25%