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A novel pathway of LPS uptake through syndecan-1 leading to pyroptotic cell death

eLife, 2018-12, Vol.7

2018

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TNIK Is a Therapeutic Target in Lung Squamous Cell Carcinoma and Regulates FAK Activation through Merlin

Cancer discovery, 2021-06, Vol.11 (6), p.1411-1423

2021

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Conformational energy range of ligands in protein crystal structures: The difficult quest for accurate understanding

Journal of molecular recognition, 2017-08, Vol.30 (8), p.n/a

2017

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On the Role of the SP1 Domain in HIV-1 Particle Assembly: a Molecular Switch?

Journal of Virology, 2011-05, Vol.85 (9), p.4111-4121

2011

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Electrostatically Driven Guanidinium Interaction Domains that Control Hydrogel-Mediated Protein Delivery In Vivo

ACS central science, 2019-11, Vol.5 (11), p.1750-1759

2019

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Towards a consensus on datasets and evaluation metrics for developing B-cell epitope prediction tools

Journal of molecular recognition, 2007-03, Vol.20 (2), p.75-82

2007

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The upcoming subatomic resolution revolution

Current opinion in structural biology, 2019-10, Vol.58, p.53-58

2019

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Establishment and Characterization of Amitrole-Induced Mouse Thyroid Adenomatous Nodule-Derived Cell Lines

Thyroid (New York, N.Y.), 2024-04, Vol.34 (4), p.496

2024

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Study of Interaction Energies between the PAMAM Dendrimer and Nonsteroidal Anti-Inflammatory Drug Using a Distributed Computational Strategy and Experimental Analysis by ESI-MS/MS

The journal of physical chemistry. B, 2012-02, Vol.116 (7), p.2031-2039

2012

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Generation of antitumor chimeric antigen receptors incorporating T cell signaling motifs

Science signaling, 2024-07, Vol.17 (846)

2024

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Nanoinformatics: an emerging area of information technology at the intersection of bioinformatics, computational chemistry and nanobiotechnology

Biological research, 2011, Vol.44 (1), p.43-51

2011

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Identification of Critical Residues of an Immunodominant Region of Echinococcus granulosus Antigen B

The Journal of biological chemistry, 2003-05, Vol.278 (22), p.20179-20184

2003

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Quantum chemical modeling of the GTP hydrolysis by the RAS–GAP protein complex

Biochimica et biophysica acta, 2004-07, Vol.1700 (1), p.125-136

2004

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Nanoinformatics: a new area of research in nanomedicine

International Journal of Nanomedicine, 2012-01, Vol.7 (default), p.3867-3890

2012

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PDB Ligand Conformational Energies Calculated Quantum-Mechanically

Journal of chemical information and modeling, 2012-03, Vol.52 (3), p.739-756

2012

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Complete basis set and density functional determination of the enthalpy of formation of the controversial HO3 radical: a discrepancy between theory and experiment

Chemical physics letters, 2002-11, Vol.365 (5-6), p.440-449

2002

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Nanoinformatics workshop report: current resources, community needs and the proposal of a collaborative framework for data sharing and information integration

Computational science & discovery, 2013, Vol.6 (1), p.14008

2013

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Metal Ions-Stimulated Iron Oxidation in Hydroxylases Facilitates Stabilization of HIF-1α Protein

Toxicological sciences, 2009-02, Vol.107 (2), p.394-403

2009

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QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate

Proteins, structure, function, and bioinformatics, 2005-08, Vol.60 (3), p.495-503

2005

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Supramolecular complexes of quantum dots and a polyamidoamine (PAMAM)-folate derivative for molecular imaging of cancer cells

Analytical and bioanalytical chemistry, 2011-04, Vol.400 (2), p.483-492

2011

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Inhibition of phosphoinositol 3 kinase contributes to nanoparticle-mediated exaggeration of endotoxin-induced leukocyte procoagulant activity

Nanomedicine (London, England), 2014-07, Vol.9 (9), p.1-14

2014

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Quantum Chemical Modeling of Reaction Mechanism for 2-Oxoglutarate Dependent Enzymes: Effect of Substitution of Iron by Nickel and Cobalt

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-03, Vol.110 (12), p.4223-4228

2006

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A New Perspective in the Lewis Acid Catalyzed Ring Opening of Epoxides. Theoretical Study of Some Complexes of Methanol, Acetic Acid, Dimethyl Ether, Diethyl Ether, and Ethylene Oxide with Boron Trifluoride

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-10, Vol.110 (41), p.11734-11751

2006

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In-silico nanobio-design. A new frontier in computational biology

Current topics in medicinal chemistry, 2007-08, Vol.7 (15), p.1537-1540

2007

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A novel pathway of LPS uptake through syndecan-1 leading to pyroptotic cell death

TNIK Is a Therapeutic Target in Lung Squamous Cell Carcinoma and Regulates FAK Activation through Merlin

Conformational energy range of ligands in protein crystal structures: The difficult quest for accurate understanding

On the Role of the SP1 Domain in HIV-1 Particle Assembly: a Molecular Switch?

Electrostatically Driven Guanidinium Interaction Domains that Control Hydrogel-Mediated Protein Delivery In Vivo

Towards a consensus on datasets and evaluation metrics for developing B-cell epitope prediction tools

The upcoming subatomic resolution revolution

Establishment and Characterization of Amitrole-Induced Mouse Thyroid Adenomatous Nodule-Derived Cell Lines

Study of Interaction Energies between the PAMAM Dendrimer and Nonsteroidal Anti-Inflammatory Drug Using a Distributed Computational Strategy and Experimental Analysis by ESI-MS/MS

Generation of antitumor chimeric antigen receptors incorporating T cell signaling motifs

Nanoinformatics: an emerging area of information technology at the intersection of bioinformatics, computational chemistry and nanobiotechnology

Identification of Critical Residues of an Immunodominant Region of Echinococcus granulosus Antigen B

Quantum chemical modeling of the GTP hydrolysis by the RAS–GAP protein complex

Nanoinformatics: a new area of research in nanomedicine

PDB Ligand Conformational Energies Calculated Quantum-Mechanically

Complete basis set and density functional determination of the enthalpy of formation of the controversial HO3 radical: a discrepancy between theory and experiment

Nanoinformatics workshop report: current resources, community needs and the proposal of a collaborative framework for data sharing and information integration

Metal Ions-Stimulated Iron Oxidation in Hydroxylases Facilitates Stabilization of HIF-1α Protein

QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate

Supramolecular complexes of quantum dots and a polyamidoamine (PAMAM)-folate derivative for molecular imaging of cancer cells

Inhibition of phosphoinositol 3 kinase contributes to nanoparticle-mediated exaggeration of endotoxin-induced leukocyte procoagulant activity

Nanoinformatics: developing new computing applications for nanomedicine

Quantum Chemical Modeling of Reaction Mechanism for 2-Oxoglutarate Dependent Enzymes: Effect of Substitution of Iron by Nickel and Cobalt

A New Perspective in the Lewis Acid Catalyzed Ring Opening of Epoxides. Theoretical Study of Some Complexes of Methanol, Acetic Acid, Dimethyl Ether, Diethyl Ether, and Ethylene Oxide with Boron Trifluoride

In-silico nanobio-design. A new frontier in computational biology

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