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How robust is the ligand binding transition state?
Samik Bose
, Samuel D. Lotz
,
Indrajit Deb
, Megan Shuck
, Kin Sing Stephen Lee
, Alex Dickson (Lead / Corresponding author)
Drug Discovery Unit
Research output
:
Working paper/Preprint
›
Preprint
Overview
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Dive into the research topics of 'How robust is the ligand binding transition state?'. Together they form a unique fingerprint.
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Keyphrases
Ligand Binding
100%
Transition State
100%
Residence Time
50%
Soluble Epoxide Hydrolase
33%
Transition State Ensemble
33%
Spatial Location
16%
Computational Model
16%
Degrees of Freedom
16%
Order of Magnitude
16%
Similarity Structure
16%
Specificity Protein 1
16%
Drug Target
16%
Free Energy
16%
Bound States
16%
Drug Efficacy
16%
Molecular Dynamics
16%
Directly Observed
16%
Binding Pathway
16%
Drug Design
16%
Protein Residue
16%
Structural Details
16%
Drug Binding
16%
Enhanced Sampling
16%
Short Lifetime
16%
Predictive Computational Model
16%
Thermodynamic Quantities
16%
Biochemistry, Genetics and Molecular Biology
Ligand Binding
100%
Retention Time
60%
Epoxide Hydrolase
40%
Dynamics
20%
Lifespan
20%
Drug Efficacy
20%
Drug Binding
20%