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Validation Studies of the Site-Directed Docking Program LibDock

Journal of chemical information and modeling, 2007-11, Vol.47 (6), p.2159-2171

2007

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Structure-Based Design, Synthesis and Validation of CD4-Mimetic Small Molecule Inhibitors of HIV‑1 Entry: Conversion of a Viral Entry Agonist to an Antagonist

Accounts of chemical research, 2014-04, Vol.47 (4), p.1228-1237

2014

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Indoleamine 2,3-Dioxygenase Is the Anticancer Target for a Novel Series of Potent Naphthoquinone-Based Inhibitors

Journal of medicinal chemistry, 2008-03, Vol.51 (6), p.1706-1718

2008

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Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors

Journal of medicinal chemistry, 2012-05, Vol.55 (9), p.4382-4396

2012

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Crystal structures of HIV-1 gp120 envelope glycoprotein in complex with NBD analogues that target the CD4-binding site

PloS one, 2014-01, Vol.9 (1), p.e85940

2014

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Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV‑1 Entry Inhibition

ACS medicinal chemistry letters, 2016-03, Vol.7 (3), p.330-334

2016

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Enhanced Dynamics of HIV gp120 Glycoprotein by Small Molecule Binding

Biochemistry (Easton), 2011-05, Vol.50 (19), p.4173-4183

2011

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Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening

Bioorganic & medicinal chemistry, 2011-01, Vol.19 (1), p.91-101

2011

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Spontaneous Rearrangement of the β20/β21 Strands in Simulations of Unliganded HIV‑1 Glycoprotein, gp120

Biochemistry (Easton), 2012-10, Vol.51 (39), p.7783-7793

2012

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A Model of Peptide Triazole Entry Inhibitor Binding to HIV‑1 gp120 and the Mechanism of Bridging Sheet Disruption

Biochemistry (Easton), 2013-04, Vol.52 (13), p.2245-2261

2013

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Structure-Based Design and Synthesis of an HIV‑1 Entry Inhibitor Exploiting X‑ray and Thermodynamic Characterization

ACS medicinal chemistry letters, 2013-03, Vol.4 (3), p.338-343

2013

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The Tumor-Selective Cytotoxic Agent β-Lapachone is a Potent Inhibitor of IDO1

International Journal of Tryptophan Research, 2013-01, Vol.6 (2013), p.35-45

2013

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Structure Based Development of Phenylimidazole-Derived Inhibitors of Indoleamine 2,3-Dioxygenase

Journal of medicinal chemistry, 2008-08, Vol.51 (16), p.4968-4977

2008

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O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1

European journal of medicinal chemistry, 2016-01, Vol.108, p.564-576

2016

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Small-Molecule CD4 Mimics Interact with a Highly Conserved Pocket on HIV-1 gp120

Structure (London), 2008-11, Vol.16 (11), p.1689-1701

2008

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Spontaneous Rearrangement of the beta 20/ beta 21 Strands in Simulations of Unliganded HIV-1 Glycoprotein, gp120

Biochemistry (Easton), 2012-10, Vol.51 (39), p.7783-7793-7783-7793

2012

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Fluctuation dynamics analysis of gp120 envelope protein reveals a topologically based communication network

Proteins, structure, function, and bioinformatics, 2010-11, Vol.78 (14), p.2935-2949

2010

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Indoleamine 2,3-Dioxygenase Is the Anticancer Target for a Novel Series of Potent Naphthoquinone-Based Inhibitors

Journal of medicinal chemistry, 2008-11, Vol.51 (22), p.7325-7325

2008

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Some Binding-Related Drug Properties are Dependent on Thermodynamic Signature

Chemical biology & drug design, 2011-03, Vol.77 (3), p.161-165

2011

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Structure-Based Identification and Neutralization Mechanism of Tyrosine Sulfate Mimetics That Inhibit HIV-1 Entry

ACS chemical biology, 2011-10, Vol.6 (10), p.1069-1077

2011

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The Crystal Structure of Human Procathepsin K

Biochemistry (Easton), 1999-01, Vol.38 (3), p.862-869

1999

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Use of Papain as a Model for the Structure-Based Design of Cathepsin K Inhibitors: Crystal Structures of Two Papain−Inhibitor Complexes Demonstrate Binding to S‘-Subsites

Journal of medicinal chemistry, 1998-11, Vol.41 (23), p.4567-4576

1998

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X-ray Crystallographic Structures of Adipocyte Lipid-Binding Protein Complexed with Palmitate and Hexadecanesulfonic Acid. Properties of Cavity Binding Sites

Biochemistry (Easton), 1994-04, Vol.33 (16), p.4885-4895

1994

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A Molecular Dynamics Simulation of Peptide-Triazole HIV Entry Inhibitor Binding to gp120 Hydrophobic Core

Biophysical journal, 2012-01, Vol.102 (3), p.621a-621a

2012

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Some Binding-Related Drug Properties are Dependent on Thermodynamic Signature: Optimization of Drug Candidates

Chemical biology & drug design, 2011-03, Vol.77 (3), p.161-165

2011

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Validation Studies of the Site-Directed Docking Program LibDock

Structure-Based Design, Synthesis and Validation of CD4-Mimetic Small Molecule Inhibitors of HIV‑1 Entry: Conversion of a Viral Entry Agonist to an Antagonist

Indoleamine 2,3-Dioxygenase Is the Anticancer Target for a Novel Series of Potent Naphthoquinone-Based Inhibitors

Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors

Crystal structures of HIV-1 gp120 envelope glycoprotein in complex with NBD analogues that target the CD4-binding site

Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV‑1 Entry Inhibition

Enhanced Dynamics of HIV gp120 Glycoprotein by Small Molecule Binding

Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening

Spontaneous Rearrangement of the β20/β21 Strands in Simulations of Unliganded HIV‑1 Glycoprotein, gp120

A Model of Peptide Triazole Entry Inhibitor Binding to HIV‑1 gp120 and the Mechanism of Bridging Sheet Disruption

Structure-Based Design and Synthesis of an HIV‑1 Entry Inhibitor Exploiting X‑ray and Thermodynamic Characterization

The Tumor-Selective Cytotoxic Agent β-Lapachone is a Potent Inhibitor of IDO1

Structure Based Development of Phenylimidazole-Derived Inhibitors of Indoleamine 2,3-Dioxygenase

O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1

Small-Molecule CD4 Mimics Interact with a Highly Conserved Pocket on HIV-1 gp120

Spontaneous Rearrangement of the beta 20/ beta 21 Strands in Simulations of Unliganded HIV-1 Glycoprotein, gp120

Fluctuation dynamics analysis of gp120 envelope protein reveals a topologically based communication network

Indoleamine 2,3-Dioxygenase Is the Anticancer Target for a Novel Series of Potent Naphthoquinone-Based Inhibitors

Some Binding-Related Drug Properties are Dependent on Thermodynamic Signature

Structure-Based Identification and Neutralization Mechanism of Tyrosine Sulfate Mimetics That Inhibit HIV-1 Entry

The Crystal Structure of Human Procathepsin K

Use of Papain as a Model for the Structure-Based Design of Cathepsin K Inhibitors: Crystal Structures of Two Papain−Inhibitor Complexes Demonstrate Binding to S‘-Subsites

X-ray Crystallographic Structures of Adipocyte Lipid-Binding Protein Complexed with Palmitate and Hexadecanesulfonic Acid. Properties of Cavity Binding Sites

A Molecular Dynamics Simulation of Peptide-Triazole HIV Entry Inhibitor Binding to gp120 Hydrophobic Core

Some Binding-Related Drug Properties are Dependent on Thermodynamic Signature: Optimization of Drug Candidates

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