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Stabilization of G-Quadruplex DNA with Platinum(II) Schiff Base Complexes: Luminescent Probe and Down-Regulation of c-myc Oncogene Expression

Chemistry : a European journal, 2009-12, Vol.15 (47), p.13008-13021

2009

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XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification

Analytical chemistry (Washington), 2006-02, Vol.78 (3), p.779-787

2006

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Spatial chemical distance based on atomic property fields

Journal of computer-aided molecular design, 2010-03, Vol.24 (3), p.173-182

2010

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Accurate Transferable Model for Water, n-Octanol, and n-Hexadecane Solvation Free Energies

The journal of physical chemistry. B, 2002-10, Vol.106 (42), p.11009-11015

2002

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Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3

Journal of computer-aided molecular design, 2019-01, Vol.33 (1), p.35-46

2019

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Direct Derivation of van der Waals Force Field Parameters from Quantum Mechanical Interaction Energies

The journal of physical chemistry. B, 2003-09, Vol.107 (35), p.9601-9609

2003

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ICM-A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation

Journal of computational chemistry, 1994-05, Vol.15 (5), p.488-506

1994

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Representing Receptor Flexibility in Ligand Docking through Relevant Normal Modes

Journal of the American Chemical Society, 2005-07, Vol.127 (26), p.9632-9640

2005

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Synthesis of [1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-ones by the Condensation of 3-Alkylamino-5-amino-1-phenyl[1,2,4]triazoles with β-Keto Esters or Diethyl Ethoxymethylenemalonate

Chemistry of heterocyclic compounds (New York, N.Y. 1965), 2014, Vol.49 (10), p.1500-1507

2014

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Conformational Sampling of Protein Flexibility in Generalized Coordinates: Application to Ligand Docking

Journal of computational and theoretical nanoscience, 2005-09, Vol.2 (3), p.354-361

2005

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Long chain amines and long chain ammonium salts as novel inhibitors of dynamin GTPase activity

Bioorganic & medicinal chemistry letters, 2004-06, Vol.14 (12), p.3275-3278

2004

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ICFF: A new method to incorporate implicit flexibility into an internal coordinate force field

Journal of computational chemistry, 2003-01, Vol.24 (2), p.254-265

2003

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In silico identification of novel EGFR inhibitors with antiproliferative activity against cancer cells

Bioorganic & medicinal chemistry letters, 2006-04, Vol.16 (7), p.1969-1974

2006

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Thermodynamic and kinetic aspects of a single-reactor synthesis of 5-amino-3-methyl-1,2,4-triazole hydrochloride from aminoguanidine and acetic acid

Russian journal of applied chemistry, 2011-03, Vol.84 (3), p.400-406

2011

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Efficient parallelization of the energy, surface, and derivative calculations for internal coordinate mechanics

Journal of computational chemistry, 1994-10, Vol.15 (10), p.1105-1112

1994

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Molecular Modeling of the Domain Shared Between CED-4 and its Mammalian Homologue Apaf-1: A Structural Relationship to the G-proteins

Journal of molecular modeling, 1998-01, Vol.4 (2), p.83-93

1998

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Conformational energy derivatives for polypeptides with flexible proline rings

Computers & chemistry, 1990, Vol.14 (2), p.169-175

1990

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Anomalous properties of adenine.thymine tracts

Nature (London), 1988-03, Vol.332 (6160), p.117-117

1988

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The protein folding problem: Finding a few minimums in a near infinite space

Computers & chemistry, 1994-09, Vol.18 (3), p.225-231

1994

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Retraction Note: Orphan receptor ligand discovery by pickpocketing pharmacological neighbors

Nature chemical biology, 2021-04, Vol.17 (4), p.501-501

2021

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RETRACTED ARTICLE: Orphan receptor ligand discovery by pickpocketing pharmacological neighbors

Nature chemical biology, 2016-12, Vol.13 (2), p.235-242

2016

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Cascade reactions leading to the mechanism of action of vinaxanthone and xanthofulvin, natural products that drive nerve repair

Tetrahedron, 2018-06, Vol.74 (26), p.3238-3245

2018

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Designing endocrine disruption out of the next generation of chemicals

Green chemistry : an international journal and green chemistry resource : GC, 2013, Vol.15 (1), p.181-198

2013

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Stabilization of G-Quadruplex DNA with Platinum(II) Schiff Base Complexes: Luminescent Probe and Down-Regulation of c-myc Oncogene Expression

XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification

Spatial chemical distance based on atomic property fields

Accurate Transferable Model for Water, n-Octanol, and n-Hexadecane Solvation Free Energies

Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3

Direct Derivation of van der Waals Force Field Parameters from Quantum Mechanical Interaction Energies

ICM-A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation

Representing Receptor Flexibility in Ligand Docking through Relevant Normal Modes

Synthesis of [1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-ones by the Condensation of 3-Alkylamino-5-amino-1-phenyl[1,2,4]triazoles with β-Keto Esters or Diethyl Ethoxymethylenemalonate

Conformational Sampling of Protein Flexibility in Generalized Coordinates: Application to Ligand Docking

Long chain amines and long chain ammonium salts as novel inhibitors of dynamin GTPase activity

ICFF: A new method to incorporate implicit flexibility into an internal coordinate force field

In silico identification of novel EGFR inhibitors with antiproliferative activity against cancer cells

Thermodynamic and kinetic aspects of a single-reactor synthesis of 5-amino-3-methyl-1,2,4-triazole hydrochloride from aminoguanidine and acetic acid

Efficient parallelization of the energy, surface, and derivative calculations for internal coordinate mechanics

Molecular Modeling of the Domain Shared Between CED-4 and its Mammalian Homologue Apaf-1: A Structural Relationship to the G-proteins

Conformational energy derivatives for polypeptides with flexible proline rings

Anomalous properties of adenine.thymine tracts

The protein folding problem: Finding a few minimums in a near infinite space

Retraction Note: Orphan receptor ligand discovery by pickpocketing pharmacological neighbors

RETRACTED ARTICLE: Orphan receptor ligand discovery by pickpocketing pharmacological neighbors

Cascade reactions leading to the mechanism of action of vinaxanthone and xanthofulvin, natural products that drive nerve repair

Designing endocrine disruption out of the next generation of chemicals

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