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A molecular mechanism of artemisinin resistance in Plasmodium falciparum malaria

Nature (London), 2015-04, Vol.520 (7549), p.683-687

2015

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Discovery of selective small-molecule HDAC6 inhibitor for overcoming proteasome inhibitor resistance in multiple myeloma

Proceedings of the National Academy of Sciences - PNAS, 2016-11, Vol.113 (46), p.13162-13167

2016

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Characterization of the Anopheles gambiae octopamine receptor and discovery of potential agonists and antagonists using a combined computational-experimental approach

Malaria journal, 2014-11, Vol.13 (1), p.434-434, Article 434

2014

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Identifying ligand binding conformations of the β2-adrenergic receptor by using its agonists as computational probes

PloS one, 2012-12, Vol.7 (12), p.e50186-e50186

2012

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Docking Applied to the Prediction of the Affinity of Compounds to P-Glycoprotein

BioMed research international, 2014-01, Vol.2014 (2014), p.1-10

2014

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Computational Studies of the Cholesterol Transport between NPC2 and the N‑Terminal Domain of NPC1 (NPC1(NTD))

Biochemistry (Easton), 2013-10, Vol.52 (39), p.6879-6891

2013

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Molecular modeling and QSAR analysis of the interaction of flavone derivatives with the benzodiazepine binding site of the GABAA receptor complex

Bioorganic & medicinal chemistry, 2001, Vol.9 (2), p.323-335

2001

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Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors

Nature communications, 2012-12, Vol.3 (1), p.1288-12, Article 1288

2012

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The cytoplasmic prolyl-tRNA synthetase of the malaria parasite is a dual-stage target of febrifugine and its analogs

Science translational medicine, 2015-05, Vol.7 (288), p.288ra77

2015

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Structural Origin of Selectivity in Class II-Selective Histone Deacetylase Inhibitors

Journal of medicinal chemistry, 2008-05, Vol.51 (10), p.2898-2906

2008

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Identifying Ligand Binding Conformations of the [beta]2-Adrenergic Receptor by Using Its Agonists as Computational Probes

PloS one, 2012-12, Vol.7 (12), p.e50186

2012

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Residues in the 11 Å Channel of Histone Deacetylase 1 Promote Catalytic Activity: Implications for Designing Isoform-Selective Histone Deacetylase Inhibitors

Journal of medicinal chemistry, 2008-09, Vol.51 (18), p.5542-5551

2008

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Synthesis and Modeling of New Benzofuranone Histone Deacetylase Inhibitors that Stimulate Tumor Suppressor Gene Expression

Journal of medicinal chemistry, 2009-05, Vol.52 (9), p.3112-3115

2009

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The Hydrolysis of Amides and the Proficiency of Amidohydrolases. The Burden Borne by k sub(w)

The journal of physical chemistry. B, 2007-01, Vol.111 (23), p.6507-6519

2007

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Competitive Hydrolytic and Elimination Mechanisms in the Urease Catalyzed Decomposition of Urea

The journal of physical chemistry. B, 2007-01, Vol.111 (34), p.10263-10274

2007

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Catalyzed Decomposition of Urea. Molecular Dynamics Simulations of the Binding of Urea to Urease

Biochemistry (Easton), 2006-04, Vol.45 (14), p.4429-4443

2006

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The Hydrolysis of Amides and the Proficiency of Amidohydrolases. The Burden Borne by kw

The journal of physical chemistry. B, 2007-06, Vol.111 (23), p.6507-6519

2007

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Synthesis and Anticonvulsant Activity of Amino Acid-Derived Sulfamides

Journal of medicinal chemistry, 2009-03, Vol.52 (6), p.1592-1601

2009

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Quantum mechanical and molecular dynamics simulations of ureases and Zn ß-lactamases

Journal of computational chemistry, 2006-09, Vol.27 (12), p.1240

2006

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The Hydrolysis of Amides and the Proficiency of Amidohydrolases. The Burden Borne by k w

The journal of physical chemistry. B, 2007-06, Vol.111 (23), p.6507-6519

2007

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Correction: Corrigendum: Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors

Nature communications, 2013-05, Vol.4 (1), Article 1893

2013

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Corrigendum: Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors

Nature communications, 2013-05, Vol.4, p.1893

2013

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Theoretical Characterization of Stable η1-N2O-, η2-N2O-, η1-N2-, and η2-N2-Bound Species: Intermediates in the Addition Reactions of Nitrogen Hydrides with the Pentacyanonitrosylferrate(II) Ion

Inorganic chemistry, 2003-08, Vol.42 (16), p.4873-4880

2003

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The Electrophilic Reactions of Pentacyanonitrosylferrate(II) with Hydrazine and Substituted Derivatives. Catalytic Reduction of Nitrite and Theoretical Prediction of η1-, η2-N2O Bound Intermediates

Journal of the American Chemical Society, 2002-09, Vol.124 (35), p.10307-10319

2002

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Theoretical characterization of stable eta1-N2O-, eta2-N2O-, eta1-N2-, and eta2-N2-bound species: intermediates in the addition reactions of nitrogen hydrides with the pentacyanonitrosylferrate(II) ion

Inorganic chemistry, 2003-08, Vol.42 (16), p.4873-4880

2003

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A molecular mechanism of artemisinin resistance in Plasmodium falciparum malaria

Discovery of selective small-molecule HDAC6 inhibitor for overcoming proteasome inhibitor resistance in multiple myeloma

Characterization of the Anopheles gambiae octopamine receptor and discovery of potential agonists and antagonists using a combined computational-experimental approach

Identifying ligand binding conformations of the β2-adrenergic receptor by using its agonists as computational probes

Docking Applied to the Prediction of the Affinity of Compounds to P-Glycoprotein

Computational Studies of the Cholesterol Transport between NPC2 and the N‑Terminal Domain of NPC1 (NPC1(NTD))

Molecular modeling and QSAR analysis of the interaction of flavone derivatives with the benzodiazepine binding site of the GABAA receptor complex

Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors

The cytoplasmic prolyl-tRNA synthetase of the malaria parasite is a dual-stage target of febrifugine and its analogs

Structural Origin of Selectivity in Class II-Selective Histone Deacetylase Inhibitors

Identifying Ligand Binding Conformations of the [beta]2-Adrenergic Receptor by Using Its Agonists as Computational Probes

Residues in the 11 Å Channel of Histone Deacetylase 1 Promote Catalytic Activity: Implications for Designing Isoform-Selective Histone Deacetylase Inhibitors

Synthesis and Modeling of New Benzofuranone Histone Deacetylase Inhibitors that Stimulate Tumor Suppressor Gene Expression

The Hydrolysis of Amides and the Proficiency of Amidohydrolases. The Burden Borne by k sub(w)

Competitive Hydrolytic and Elimination Mechanisms in the Urease Catalyzed Decomposition of Urea

Catalyzed Decomposition of Urea. Molecular Dynamics Simulations of the Binding of Urea to Urease

The Hydrolysis of Amides and the Proficiency of Amidohydrolases. The Burden Borne by kw

Synthesis and Anticonvulsant Activity of Amino Acid-Derived Sulfamides

Quantum mechanical and molecular dynamics simulations of ureases and Zn ß-lactamases

The Hydrolysis of Amides and the Proficiency of Amidohydrolases. The Burden Borne by k w

Correction: Corrigendum: Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors

Corrigendum: Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors

Theoretical Characterization of Stable η1-N2O-, η2-N2O-, η1-N2-, and η2-N2-Bound Species: Intermediates in the Addition Reactions of Nitrogen Hydrides with the Pentacyanonitrosylferrate(II) Ion

The Electrophilic Reactions of Pentacyanonitrosylferrate(II) with Hydrazine and Substituted Derivatives. Catalytic Reduction of Nitrite and Theoretical Prediction of η1-, η2-N2O Bound Intermediates

Theoretical characterization of stable eta1-N2O-, eta2-N2O-, eta1-N2-, and eta2-N2-bound species: intermediates in the addition reactions of nitrogen hydrides with the pentacyanonitrosylferrate(II) ion

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