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A Common Pharmacophore for a Diverse Set of Colchicine Site Inhibitors Using a Structure-Based Approach

Journal of medicinal chemistry, 2005-09, Vol.48 (19), p.6107-6116

2005

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Calculation methods for the enhancement of pharmaceutical properties in small molecules: estimating the cationic pKa

Current pharmaceutical design, 2013, Vol.19 (23), p.4310

2013

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A threonine turnstile defines a dynamic amphiphilic binding motif in the AAA ATPase p97 allosteric binding site

Organic & biomolecular chemistry, 2017-05, Vol.15 (19), p.4096-4114

2017

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Inhibition of Metalloprotease Botulinum Serotype A from a Pseudo-peptide Binding Mode to a Small Molecule That Is Active in Primary Neurons

The Journal of biological chemistry, 2007-02, Vol.282 (7), p.5004-5014

2007

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Identification of small molecule inhibitors of anthrax lethal factor

Nature structural & molecular biology, 2004-01, Vol.11 (1), p.67-72

2004

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A Pharmacologic Inhibitor of the Protease Taspase1 Effectively Inhibits Breast and Brain Tumor Growth

Cancer research (Chicago, Ill.), 2012-02, Vol.72 (3), p.736-746

2012

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Novel small molecule inhibitors of botulinum neurotoxin A metalloprotease activity

Biochemical and biophysical research communications, 2003-10, Vol.310 (1), p.84-93

2003

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Three‐Dimensional Database Mining Identifies a Unique Chemotype that Unites Structurally Diverse Botulinum Neurotoxin Serotype A Inhibitors in a Three‐Zone Pharmacophore

ChemMedChem, 2008-12, Vol.3 (12), p.1905-1912

2008

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A Refined Pharmacophore Identifies Potent 4-Amino-7-chloroquinoline-Based Inhibitors of the Botulinum Neurotoxin Serotype A Metalloprotease

Journal of medicinal chemistry, 2007-05, Vol.50 (9), p.2127-2136

2007

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Conformational sampling of the botulinum neurotoxin serotype a light chain: implications for inhibitor binding

Bioorganic & medicinal chemistry, 2005-01, Vol.13 (2), p.333-341

2005

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An all-atom model of the pore-like structure of hexameric VP40 from Ebola: Structural insights into the monomer–hexamer transition

Journal of structural biology, 2005-07, Vol.151 (1), p.30-40

2005

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Specific RITA Modification Produces Hyperselective Cytotoxicity While Maintaining In Vivo Antitumor Efficacy

Molecular cancer therapeutics, 2019-10, Vol.18 (10), p.1765-1774

2019

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A Common Pharmacophore for a Diverse Set of Colchicine Site Inhibitors Using a Structure-Based Approach

Journal of medicinal chemistry, 2005-12, Vol.48 (24), p.7917-7917

2005

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A threonine turnstile defines a dynamic amphiphilic binding motif in the AAA ATPase p97 allosteric binding siteElectronic supplementary information (ESI) available: Copies of 1H and 13C NMR spectra, reprints and permissions information, synthetic summary schemes, computational methods with associated Figures and Tables, and movie S1. See DOI: 10.1039/c7ob00526a

2017-05

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A Pharmacological Inhibitor of the Protease Taspase1 Effectively Inhibits Breast and Brain Tumor Growth

Cancer research (Chicago, Ill.), 2011-12, Vol.72 (3), p.736-746

2011

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Free-Energy Simulations of the Retinal Cis → Trans Isomerization in Bacteriorhodopsin

Biochemistry (Easton), 1998-03, Vol.37 (9), p.2843-2853

1998

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Molecular dynamics simulations of biological and organic molecules

Hermone, Ann Renee

1998

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A theoretical study of anthrax lethal factor inhibition by a set of novel carbamimidolyl-aryl-vinyl-carboxamidines: A possible mechanism involving zinc-ligation by amidine

Journal of molecular structure. Theochem, 2007-11, Vol.821 (1), p.139-144

2007

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A Common Pharmacophore for a Diverse Set of Colchicine Site Inhibitors Using a Structure-Based Approach

Calculation methods for the enhancement of pharmaceutical properties in small molecules: estimating the cationic pKa

A threonine turnstile defines a dynamic amphiphilic binding motif in the AAA ATPase p97 allosteric binding site

Inhibition of Metalloprotease Botulinum Serotype A from a Pseudo-peptide Binding Mode to a Small Molecule That Is Active in Primary Neurons

Identification of small molecule inhibitors of anthrax lethal factor

A Pharmacologic Inhibitor of the Protease Taspase1 Effectively Inhibits Breast and Brain Tumor Growth

Novel small molecule inhibitors of botulinum neurotoxin A metalloprotease activity

Three‐Dimensional Database Mining Identifies a Unique Chemotype that Unites Structurally Diverse Botulinum Neurotoxin Serotype A Inhibitors in a Three‐Zone Pharmacophore

A Refined Pharmacophore Identifies Potent 4-Amino-7-chloroquinoline-Based Inhibitors of the Botulinum Neurotoxin Serotype A Metalloprotease

Conformational sampling of the botulinum neurotoxin serotype a light chain: implications for inhibitor binding

An all-atom model of the pore-like structure of hexameric VP40 from Ebola: Structural insights into the monomer–hexamer transition

Specific RITA Modification Produces Hyperselective Cytotoxicity While Maintaining In Vivo Antitumor Efficacy

A Common Pharmacophore for a Diverse Set of Colchicine Site Inhibitors Using a Structure-Based Approach

A Pharmacological Inhibitor of the Protease Taspase1 Effectively Inhibits Breast and Brain Tumor Growth

Free-Energy Simulations of the Retinal Cis → Trans Isomerization in Bacteriorhodopsin

Molecular dynamics simulations of biological and organic molecules

A theoretical study of anthrax lethal factor inhibition by a set of novel carbamimidolyl-aryl-vinyl-carboxamidines: A possible mechanism involving zinc-ligation by amidine

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