Structure-based maximal affinity model predicts small-molecule druggability. (Q51925540)

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24 December 2019

title

Structure-based maximal affinity model predicts small-molecule druggability (English)

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24 December 2019

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24 December 2019

Alan C Cheng

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24 December 2019

Kathleen T Smyth

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24 December 2019

Qing Cao

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24 December 2019

Patricia Soulard

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24 December 2019

Daniel R Caffrey

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24 December 2019

Anna C Salzberg

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24 December 2019

Enoch S Huang

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24 December 2019

publication date

1 January 2007

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24 December 2019

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24 December 2019

volume

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24 December 2019

issue

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24 December 2019

page(s)

71-75

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Rediscovering the sweet spot in drug discovery.

24 December 2019

cites work

1 reference

21 January 2018

1 reference

In vivo activation of the p53 pathway by small-molecule antagonists of MDM2

21 January 2018

1 reference

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

21 January 2018

1 reference

Polar molecular surface properties predict the intestinal absorption of drugs in humans.

21 January 2018

1 reference

Molecular properties that influence the oral bioavailability of drug candidates

21 January 2018

1 reference

The maximal affinity of ligands

21 January 2018

1 reference

Hydrophobic bonding and accessible surface area in proteins

21 January 2018

1 reference

21 January 2018

Hydrophobicity regained.

1 reference

Reconciling the magnitude of the microscopic and macroscopic hydrophobic effects

21 January 2018

1 reference

The Mechanism of Hydrophobic Solvation Depends on Solute Radius

21 January 2018

1 reference

Do salt bridges stabilize proteins? A continuum electrostatic analysis.

21 January 2018

1 reference

An intuitive approach to measuring protein surface curvature.

21 January 2018

1 reference

Anatomy of protein pockets and cavities: measurement of binding site geometry and implications for ligand design

21 January 2018

1 reference

Lessons learned from marketed and investigational prodrugs

21 January 2018

1 reference

Influenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active site: design, synthesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-influenza activity

21 January 2018

1 reference

Implications of protein flexibility for drug discovery

21 January 2018

1 reference

Small-molecule inhibitors of protein-protein interactions: progressing towards the dream

21 January 2018

1 reference

On the nature of cavities on protein surfaces: application to the identification of drug-binding sites

21 January 2018

1 reference

Druggability indices for protein targets derived from NMR-based screening data

21 January 2018

1 reference

The development of imatinib as a therapeutic agent for chronic myeloid leukemia

21 January 2018

1 reference

Structural mechanism for statin inhibition of HMG-CoA reductase

21 January 2018

1 reference

Chemical, pharmacokinetic and pharmacodynamic properties of statins: an update

21 January 2018

1 reference

Optimal charges in lead progression: a structure-based neuraminidase case study

21 January 2018

1 reference

Characterization of yeast homoserine dehydrogenase, an antifungal target: the invariant histidine 309 is important for enzyme integrity.

21 January 2018

1 reference

A new test set for validating predictions of protein-ligand interaction.

21 January 2018

1 reference

Surface topography dependence of biomolecular hydrophobic hydration

21 January 2018

1 reference

Hydrogen Bonding, Hydrophobic Interactions, and Failure of the Rigid Receptor Hypothesis

21 January 2018

1 reference