Lista de obras - David K. Chalmers - Dominio Público Uruguay

(+)-Fluorenylethylchloroformate (FLEC)--improved synthesis for application in chiral analysis and peptidomimetic synthesis

artículo científico publicado en 2013

2-Ethoxybenzoxazole as a bioisosteric replacement of an ethyl benzoate group in a human rhinovirus (HRV) capsid binder

artículo científico publicado en 2005

2-aminothienopyridazines as novel adenosine A1 receptor allosteric modulators and antagonists.

artículo científico publicado en 2008

A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent

artículo científico publicado en 2018

A Nonionic Polyethylene Oxide (PEO) Surfactant Model: Experimental and Molecular Dynamics Studies of Kolliphor EL

artículo científico publicado en 2018

A chemogenomic analysis of ionization constants--implications for drug discovery

artículo científico publicado en 2013

A potent cyclic peptide targeting SPSB2 protein as a potential anti-infective agent

artículo científico publicado en 2014

A three-dimensional model of the human immunodeficiency virus type 1 integration complex

artículo científico publicado en 2005

An orally bioavailable oxime ether capsid binder with potent activity against human rhinovirus

artículo científico publicado en 2003

Backbone and side chain 1H, 15N and 13C assignments for the oxidised and reduced forms of the oxidoreductase protein DsbA from Staphylococcus aureus.

artículo científico publicado en 2009

Beta amino acid-modified and fluorescently labelled kisspeptin analogues with potent KISS1R activity.

artículo científico publicado en 2016

Computational Models of the Gastrointestinal Environment. 1. The Effect of Digestion on the Phase Behavior of Intestinal Fluids.

artículo científico publicado en 2017

Computational Models of the Gastrointestinal Environment. 2. Phase Behavior and Drug Solubilization Capacity of a Type I Lipid-Based Drug Formulation after Digestion.

artículo científico publicado en 2016

Computational Models of the Intestinal Environment. 3. The Impact of Cholesterol Content and pH on Mixed Micelle Colloids.

artículo científico publicado en 2017

Conformational Analysis of Drug Molecules: A Practical Exercise in the Medicinal Chemistry Course

Controlled Construction of Cyclic d / l Peptide Nanorods

scientific article published on 05 December 2018

Corrigendum: Fragment-Based Design of Ligands Targeting a Novel Site on the Integrase Enzyme of Human Immunodeficiency Virus 1

scholarly article published in ChemMedChem

Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site

artículo científico publicado en 2010

Crystal structure of the α<sub>1B</sub>-adrenergic receptor reveals molecular determinants of selective ligand recognition

artículo científico publicado en 2022

Cyclic Hexapeptide Mimics of the LEDGF Integrase Recognition Loop in Complex with HIV-1 Integrase

article

Design, Synthesis, and Biological Evaluation of Tetra-Substituted Thiophenes as Inhibitors of p38α MAPK.

artículo científico publicado en 2014

Design, Synthesis, and Characterization of Cyclic Peptidomimetics of the Inducible Nitric Oxide Synthase Binding Epitope That Disrupt the Protein-Protein Interaction Involving SPRY Domain-Containing Suppressor of Cytokine Signaling Box Protein (SPSB

artículo científico publicado en 2016

Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data

artículo científico publicado en 2016

Digestion of phospholipids after secretion of bile into the duodenum changes the phase behavior of bile components.

artículo científico publicado en 2014

Discovery of 7-Hydroxy-6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)benzo[b]furan (BNC105), a Tubulin Polymerization Inhibitor with Potent Antiproliferative and Tumor Vascular Disrupting Properties ⬇️

artículo científico publicado el 5 de agosto de 2011

Fragment Based Strategies for Discovery of Novel HIV-1 Reverse Transcriptase and Integrase Inhibitors

artículo científico publicado en 2015

Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1

artículo científico publicado en 2011

Free Energy Methods in Drug Design: Prospects of "Alchemical Perturbation" in Medicinal Chemistry.

artículo científico publicado en 2017

Glyceride lipid formulations: molecular dynamics modeling of phase behavior during dispersion and molecular interactions between drugs and excipients

artículo científico publicado en 2013

Homology Modeling and Docking Evaluation of Human Muscarinic Acetylcholine Receptors

Homology modeling and docking evaluation of aminergic G protein-coupled receptors

artículo científico publicado en 2010

Homology modeling of human muscarinic acetylcholine receptors

artículo científico publicado en 2013

How kanamycin A interacts with bacterial and mammalian mimetic membranes

artículo científico publicado en 2017

Identification of mechanistically distinct inhibitors of HIV-1 reverse transcriptase through fragment screening.

artículo científico publicado en 2015

Improvement in the Predicted Partitioning of Alcohol and Polyethylene Oxide Groups Between Water and Octanol (logP) in Molecular Dynamics Simulations

artículo científico publicado en 2018

Ligand Binding Pathways of Clozapine and Haloperidol in the Dopamine D2 and D3 Receptors

artículo científico publicado en 2016

Location of Solvated Probe Molecules within Non-Ionic Surfactant Micelles using Molecular Dynamics

scientific article published on 03 November 2018

Models for the binding of amiodarone to the thyroid hormone receptor

scientific article published on 01 February 1992

Molecular Dynamics of Poly(l-lysine) Dendrimers with Naphthalene Disulfonate Caps

article

Molecular Dynamics of Variegated Polyamide Dendrimers

article

Parallel and antiparallel cyclic d/l peptide nanotubes.

artículo científico publicado en 2017

Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?

artículo científico publicado en 2013

Polymeric Precipitation Inhibitors Promote Fenofibrate Supersaturation and Enhance Drug Absorption from a Type IV Lipid-Based Formulation.

artículo científico publicado en 2018

Probing the fibrate binding specificity of rat liver fatty acid binding protein.

artículo científico publicado en 2009

Production of metabolites of the anti-cancer drug noscapine using a P450BM3 mutant library

scientific article published on 24 August 2019

Propargyloxyproline Regio- and Stereoisomers for Click-Conjugation of Peptides: Synthesis and Application in Linear and Cyclic Peptides

article

Quantum chemical study of the intermediate complex required for iron-mediated reactivity and antimalarial activity of dispiro-1,2,4-trioxolanes

artículo científico publicado en 2008

Redox-stable cyclic peptide inhibitors of the SPSB2-iNOS interaction

artículo científico publicado en 2016

Structural and functional characterisation of a novel peptide from the Australian sea anemone Actinia tenebrosa

artículo científico publicado en 2019

Structure and activity of contryphan-Vc2: Importance of the d-amino acid residue.

artículo científico publicado en 2017

Structure and dynamics of glyceride lipid formulations, with propylene glycol and water

artículo científico publicado en 2009

Structure-Activity Studies of β-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction

artículo científico publicado en 2016

Synthesis and Pharmacological Evaluation of 4-Iminothiazolidinones for Inhibition of PI3 Kinase

artículo científico publicado en 2012

The Acid/Base Profile of the Human Metabolome and Natural Products

artículo científico publicado en 2013

The Dotted Cap Notation: A concise notation for describing variegated dendrimers

article by Benjamin P. Roberts et al published 2008 in New Journal of Chemistry

The binding interaction of synthetic ozonide antimalarials with natural and modified beta-cyclodextrins

artículo científico publicado en 2006

The influence and manipulation of acid/base properties in drug discovery

artículo científico publicado en 2018

The significance of acid/base properties in drug discovery

artículo científico

Thiazolidinedione-based PI3Kα inhibitors: an analysis of biochemical and virtual screening methods

artículo científico publicado en 2011

Toward activated homology models of the human M1 muscarinic acetylcholine receptor

artículo científico publicado en 2014

Using molecular dynamics to study liquid phase behavior: simulations of the ternary sodium laurate/sodium oleate/water system

scientific article published on 26 August 2011

Using the β2-Adrenoceptor for Structure-Based Drug Design

Virtual screening using a conformationally flexible target protein: models for ligand binding to p38α MAPK ⬇️

artículo científico publicado el 20 de abril de 2012

Lista de obras de David K. Chalmers

(+)-Fluorenylethylchloroformate (FLEC)--improved synthesis for application in chiral analysis and peptidomimetic synthesis

2-Ethoxybenzoxazole as a bioisosteric replacement of an ethyl benzoate group in a human rhinovirus (HRV) capsid binder

2-aminothienopyridazines as novel adenosine A1 receptor allosteric modulators and antagonists.

A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent

A Nonionic Polyethylene Oxide (PEO) Surfactant Model: Experimental and Molecular Dynamics Studies of Kolliphor EL

A chemogenomic analysis of ionization constants--implications for drug discovery

A potent cyclic peptide targeting SPSB2 protein as a potential anti-infective agent

A three-dimensional model of the human immunodeficiency virus type 1 integration complex

An orally bioavailable oxime ether capsid binder with potent activity against human rhinovirus

Backbone and side chain 1H, 15N and 13C assignments for the oxidised and reduced forms of the oxidoreductase protein DsbA from Staphylococcus aureus.

Beta amino acid-modified and fluorescently labelled kisspeptin analogues with potent KISS1R activity.

Computational Models of the Gastrointestinal Environment. 1. The Effect of Digestion on the Phase Behavior of Intestinal Fluids.

Computational Models of the Gastrointestinal Environment. 2. Phase Behavior and Drug Solubilization Capacity of a Type I Lipid-Based Drug Formulation after Digestion.

Computational Models of the Intestinal Environment. 3. The Impact of Cholesterol Content and pH on Mixed Micelle Colloids.

Conformational Analysis of Drug Molecules: A Practical Exercise in the Medicinal Chemistry Course

Controlled Construction of Cyclic d / l Peptide Nanorods

Corrigendum: Fragment-Based Design of Ligands Targeting a Novel Site on the Integrase Enzyme of Human Immunodeficiency Virus 1

Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site

Crystal structure of the α<sub>1B</sub>-adrenergic receptor reveals molecular determinants of selective ligand recognition

Cyclic Hexapeptide Mimics of the LEDGF Integrase Recognition Loop in Complex with HIV-1 Integrase

Design, Synthesis, and Biological Evaluation of Tetra-Substituted Thiophenes as Inhibitors of p38α MAPK.

Design, Synthesis, and Characterization of Cyclic Peptidomimetics of the Inducible Nitric Oxide Synthase Binding Epitope That Disrupt the Protein-Protein Interaction Involving SPRY Domain-Containing Suppressor of Cytokine Signaling Box Protein (SPSB

Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data

Digestion of phospholipids after secretion of bile into the duodenum changes the phase behavior of bile components.

Discovery of 7-Hydroxy-6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)benzo[b]furan (BNC105), a Tubulin Polymerization Inhibitor with Potent Antiproliferative and Tumor Vascular Disrupting Properties ⬇️

Fragment Based Strategies for Discovery of Novel HIV-1 Reverse Transcriptase and Integrase Inhibitors

Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1

Free Energy Methods in Drug Design: Prospects of "Alchemical Perturbation" in Medicinal Chemistry.

Glyceride lipid formulations: molecular dynamics modeling of phase behavior during dispersion and molecular interactions between drugs and excipients

Homology Modeling and Docking Evaluation of Human Muscarinic Acetylcholine Receptors

Homology modeling and docking evaluation of aminergic G protein-coupled receptors

Homology modeling of human muscarinic acetylcholine receptors

How kanamycin A interacts with bacterial and mammalian mimetic membranes

Identification of mechanistically distinct inhibitors of HIV-1 reverse transcriptase through fragment screening.

Improvement in the Predicted Partitioning of Alcohol and Polyethylene Oxide Groups Between Water and Octanol (logP) in Molecular Dynamics Simulations

Ligand Binding Pathways of Clozapine and Haloperidol in the Dopamine D2 and D3 Receptors

Location of Solvated Probe Molecules within Non-Ionic Surfactant Micelles using Molecular Dynamics

Models for the binding of amiodarone to the thyroid hormone receptor

Molecular Dynamics of Poly(l-lysine) Dendrimers with Naphthalene Disulfonate Caps

Molecular Dynamics of Variegated Polyamide Dendrimers

Parallel and antiparallel cyclic d/l peptide nanotubes.

Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?

Polymeric Precipitation Inhibitors Promote Fenofibrate Supersaturation and Enhance Drug Absorption from a Type IV Lipid-Based Formulation.

Probing the fibrate binding specificity of rat liver fatty acid binding protein.

Production of metabolites of the anti-cancer drug noscapine using a P450BM3 mutant library

Propargyloxyproline Regio- and Stereoisomers for Click-Conjugation of Peptides: Synthesis and Application in Linear and Cyclic Peptides

Quantum chemical study of the intermediate complex required for iron-mediated reactivity and antimalarial activity of dispiro-1,2,4-trioxolanes

Redox-stable cyclic peptide inhibitors of the SPSB2-iNOS interaction

Structural and functional characterisation of a novel peptide from the Australian sea anemone Actinia tenebrosa

Structure and activity of contryphan-Vc2: Importance of the d-amino acid residue.

Structure and dynamics of glyceride lipid formulations, with propylene glycol and water

Structure-Activity Studies of β-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction

Synthesis and Pharmacological Evaluation of 4-Iminothiazolidinones for Inhibition of PI3 Kinase

The Acid/Base Profile of the Human Metabolome and Natural Products

The Dotted Cap Notation: A concise notation for describing variegated dendrimers

The binding interaction of synthetic ozonide antimalarials with natural and modified beta-cyclodextrins

The influence and manipulation of acid/base properties in drug discovery

The significance of acid/base properties in drug discovery

Thiazolidinedione-based PI3Kα inhibitors: an analysis of biochemical and virtual screening methods

Toward activated homology models of the human M1 muscarinic acetylcholine receptor

Using molecular dynamics to study liquid phase behavior: simulations of the ternary sodium laurate/sodium oleate/water system

Using the β2-Adrenoceptor for Structure-Based Drug Design

Virtual screening using a conformationally flexible target protein: models for ligand binding to p38α MAPK ⬇️