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Flexible ligand docking to multiple receptor conformations: a practical alternative

Current opinion in structural biology, 2008-04, Vol.18 (2), p.178-184

2008

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Estimated secondary structure propensities within V1/V2 region of HIV gp120 are an important global antibody neutralization sensitivity determinant

PloS one, 2014-04, Vol.9 (4), p.e94002-e94002

2014

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Atomic Property Fields: Generalized 3D Pharmacophoric Potential for Automated Ligand Superposition, Pharmacophore Elucidation and 3D QSAR

Chemical biology & drug design, 2008-01, Vol.71 (1), p.15-27

Totrov, Maxim

2008

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Ligand binding site superposition and comparison based on Atomic Property Fields: identification of distant homologues, convergent evolution and PDB-wide clustering of binding sites

BMC bioinformatics, 2011-02, Vol.12 Suppl 1 (S1), p.S35-S35, Article S35

Totrov, Maxim

2011

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Four-Dimensional Docking: A Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking

Journal of medicinal chemistry, 2009-01, Vol.52 (2), p.397-406

2009

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Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes

Molecular & cellular proteomics, 2005-06, Vol.4 (6), p.752-761

2005

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QPX7728, An Ultra-Broad-Spectrum B-Lactamase Inhibitor for Intravenous and Oral Therapy: Overview of Biochemical and Microbiological Characteristics

Frontiers in microbiology, 2021-07, Vol.12, p.697180-697180

2021

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High-throughput docking for lead generation

Current Opinion in Chemical Biology, 2001-08, Vol.5 (4), p.375-382

2001

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Structural genomics for drug design against the pathogen Coxiella burnetii

Proteins, structure, function, and bioinformatics, 2015-12, Vol.83 (12), p.2124-2136

2015

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Waltzing transporters and 'the dance macabre' between humans and bacteria

Nature reviews. Drug discovery, 2007-01, Vol.6 (1), p.56-65

2007

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Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modeling

Proteins, structure, function, and bioinformatics, 2011-02, Vol.79 (2), p.477-498

2011

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PIER: Protein interface recognition for structural proteomics

Proteins, structure, function, and bioinformatics, 2007-05, Vol.67 (2), p.400-417

2007

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Difluoromethyl ketones: Potent inhibitors of wild type and carbamate-insensitive G119S mutant Anopheles gambiae acetylcholinesterase

Bioorganic & medicinal chemistry letters, 2015-10, Vol.25 (20), p.4405-4411

2015

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A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)

Journal of computer-aided molecular design, 2008-05, Vol.22 (5), p.311-325

2008

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Vaccination with immune complexes modulates the elicitation of functional antibodies against HIV-1

Frontiers in immunology, 2023-10, Vol.14, p.1271686

2023

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Biochemical Characterization of QPX7728, a New Ultrabroad-Spectrum Beta-Lactamase Inhibitor of Serine and Metallo-Beta-Lactamases

Antimicrobial agents and chemotherapy, 2020-05, Vol.64 (6)

2020

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Functional Antibody Response Against V1V2 and V3 of HIV gp120 in the VAX003 and VAX004 Vaccine Trials

Scientific reports, 2018-01, Vol.8 (1), p.542-542, Article 542

2018

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Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae

Insect science, 2018-08, Vol.25 (4), p.721-724

2018

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3-Oxoisoxazole-2(3H)-carboxamides and isoxazol-3-yl carbamates: Resistance-breaking acetylcholinesterase inhibitors targeting the malaria mosquito, Anopheles gambiae

Bioorganic & medicinal chemistry, 2015-03, Vol.23 (6), p.1321-1340

2015

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Corrigendum: Vaccination with immune complexes modulates the elicitation of functional antibodies against HIV-1

Frontiers in immunology, 2023-11, Vol.14, p.1329069-1329069

2023

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Toxicology of potassium channel-directed compounds in mosquitoes

Neurotoxicology (Park Forest South), 2017-05, Vol.60, p.214-223

2017

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Cross-Clade HIV-1 Neutralizing Antibodies Induced with V3-Scaffold Protein Immunogens following Priming with gp120 DNA

Journal of Virology, 2011-10, Vol.85 (19), p.9887-9898

2011

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Induction of neutralizing antibodies in rhesus macaques using V3 mimotope peptides

Vaccine, 2016-05, Vol.34 (24), p.2713-2721

2016

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Flexible protein-ligand docking by global energy optimization in internal coordinates

Proteins, structure, function, and bioinformatics, 1997, Vol.29 (S1), p.215-220

1997

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Comparative study of several algorithms for flexible ligand docking

Journal of computer-aided molecular design, 2003-11, Vol.17 (11), p.755-763

2003

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Flexible ligand docking to multiple receptor conformations: a practical alternative

Estimated secondary structure propensities within V1/V2 region of HIV gp120 are an important global antibody neutralization sensitivity determinant

Atomic Property Fields: Generalized 3D Pharmacophoric Potential for Automated Ligand Superposition, Pharmacophore Elucidation and 3D QSAR

Ligand binding site superposition and comparison based on Atomic Property Fields: identification of distant homologues, convergent evolution and PDB-wide clustering of binding sites

Four-Dimensional Docking: A Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking

Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes

QPX7728, An Ultra-Broad-Spectrum B-Lactamase Inhibitor for Intravenous and Oral Therapy: Overview of Biochemical and Microbiological Characteristics

High-throughput docking for lead generation

Structural genomics for drug design against the pathogen Coxiella burnetii

Waltzing transporters and 'the dance macabre' between humans and bacteria

Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modeling

PIER: Protein interface recognition for structural proteomics

Difluoromethyl ketones: Potent inhibitors of wild type and carbamate-insensitive G119S mutant Anopheles gambiae acetylcholinesterase

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)

Vaccination with immune complexes modulates the elicitation of functional antibodies against HIV-1

Biochemical Characterization of QPX7728, a New Ultrabroad-Spectrum Beta-Lactamase Inhibitor of Serine and Metallo-Beta-Lactamases

Functional Antibody Response Against V1V2 and V3 of HIV gp120 in the VAX003 and VAX004 Vaccine Trials

Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae

3-Oxoisoxazole-2(3H)-carboxamides and isoxazol-3-yl carbamates: Resistance-breaking acetylcholinesterase inhibitors targeting the malaria mosquito, Anopheles gambiae

Corrigendum: Vaccination with immune complexes modulates the elicitation of functional antibodies against HIV-1

Toxicology of potassium channel-directed compounds in mosquitoes

Cross-Clade HIV-1 Neutralizing Antibodies Induced with V3-Scaffold Protein Immunogens following Priming with gp120 DNA

Induction of neutralizing antibodies in rhesus macaques using V3 mimotope peptides

Flexible protein-ligand docking by global energy optimization in internal coordinates

Comparative study of several algorithms for flexible ligand docking

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