Flooding enzymes: quantifying the contributions of interstitial water and cavity shape to ligand binding using extended linear response free energy calculations.
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Molecular recognition in chemical and biological systems.Bayesian Model Averaging for Ensemble-Based Estimates of Solvation-Free Energies.Nexus between protein-ligand affinity rank-ordering, biophysical approaches, and drug discovery.Biosynthesis of a Novel Glutamate Racemase Containing a Site-Specific 7-Hydroxycoumarin Amino Acid: Enzyme-Ligand Promiscuity Revealed at the Atomistic Level.
P2860
Flooding enzymes: quantifying the contributions of interstitial water and cavity shape to ligand binding using extended linear response free energy calculations.
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name
Flooding enzymes: quantifying ...... onse free energy calculations.
@en
type
label
Flooding enzymes: quantifying ...... onse free energy calculations.
@en
prefLabel
Flooding enzymes: quantifying ...... onse free energy calculations.
@en
P2860
P356
P1476
Flooding enzymes: quantifying ...... onse free energy calculations.
@en
P2093
Katie L Whalen
M Ashley Spies
P2860
P304
P356
10.1021/CI400244X
P577
2013-09-06T00:00:00Z