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Collective interactions among organometallics are exotic bonds hidden on lab shelves

Nature communications, 2022-04, Vol.13 (1), p.2069-2069, Article 2069

2022

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Reply to: On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds

Nature communications, 2023-07, Vol.14 (1), p.3873-3873, Article 3873

2023

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Structural Investigation of DHICA Eumelanin Using Density Functional Theory and Classical Molecular Dynamics Simulations

Molecules (Basel, Switzerland), 2022-12, Vol.27 (23), p.8417

2022

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Identification of Catechins’ Binding Sites in Monomeric Aβ42 through Ensemble Docking and MD Simulations

International journal of molecular sciences, 2023-05, Vol.24 (9), p.8161

2023

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Dawn of a New Era for Membrane Protein Design

Biodesign research, 2022, Vol.2022, p.9791435-9791435

2022

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Manipulation of a DNA aptamer-protein binding site through arylation of internal guanine residues

Organic & biomolecular chemistry, 2018, Vol.16 (20), p.3831-3840

2018

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Lewis Acid Behavior of SF4: Synthesis, Characterization, and Computational Study of Adducts of SF4 with Pyridine and Pyridine Derivatives

Chemistry : a European journal, 2015-04, Vol.21 (16), p.6247-6256

2015

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Erratum: “The chemical bond in external electric fields: Energies, geometries, and vibrational Stark shifts of diatomic molecules” [J. Chem. Phys. 139, 144101 (2013)]

The Journal of chemical physics, 2014-07, Vol.141 (3)

2014

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Insights into the Polyhexamethylene Biguanide (PHMB) Mechanism of Action on Bacterial Membrane and DNA: A Molecular Dynamics Study

The journal of physical chemistry. B, 2020-06, Vol.124 (22), p.4487-4497

2020

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A new mixed-ligand complex of copper(II) containing N-(2-pyridylmethyl)-2-pyrazinecarboxamide (NPyPzCa): Synthesis, molecular and crystal structure and properties of [Cu(NPyPzCa)(NO 3)(DMSO)]

Comptes rendus. Chimie, 2011-06, Vol.14 (6), p.563-567

2011

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Systematically testing human HMBS missense variants to reveal mechanism and pathogenic variation

American journal of human genetics, 2023-10, Vol.110 (10), p.1769-1786

2023

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Manipulation of Diatomic Molecules with Oriented External Electric Fields: Linear Correlations in Atomic Properties Lead to Nonlinear Molecular Responses

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-06, Vol.124 (23), p.4720-4731

2020

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The chemical bond in external electric fields: energies, geometries, and vibrational Stark shifts of diatomic molecules

The Journal of chemical physics, 2013-10, Vol.139 (14), p.144101-144101

2013

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Free Energy and Stacking of Eumelanin Nanoaggregates

The journal of physical chemistry. B, 2022-03, Vol.126 (8), p.1805-1818

2022

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Identification of Catechins’ Binding Sites in Monomeric AIβ/I[sub.42] through Ensemble Docking and MD Simulations

International journal of molecular sciences, 2023-05, Vol.24 (9)

2023

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Structural Insight into the Discrimination between 8‑Oxoguanine Glycosidic Conformers by DNA Repair Enzymes: A Molecular Dynamics Study of Human Oxoguanine Glycosylase 1 and Formamidopyrimidine-DNA Glycosylase

Biochemistry (Easton), 2018-02, Vol.57 (7), p.1144-1154

2018

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A Biphasic Molecular Model for Proton Transport in Tetrameric Uncoupling Proteins

Biophysical journal, 2021-02, Vol.120 (3), p.70a-70a

2021

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Computational Investigation of Glycosylase and β‑Lyase Activity Facilitated by Proline: Applications to FPG and Comparisons to hOgg1

The journal of physical chemistry. B, 2014-12, Vol.118 (50), p.14566-14577

2014

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Proton Transport in Mitochondrial UCP2 is Regulated by a Matrix-Oriented Salt-Bridge Network

Biophysical journal, 2020-02, Vol.118 (3), p.449a-449a

2020

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Biphasic Proton Transport Mechanism for Uncoupling Proteins

The journal of physical chemistry. B, 2021-08, Vol.125 (32), p.9130-9144

2021

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Quantum mechanical study of the β- and δ-lyase reactions during the base excision repair process: application to FPGElectronic supplementary information (ESI) available: Quantum mechanical study of the β- and δ-lyase reactions during the base excision repair process: application to FPG DNA glycosylase. See DOI: 10.1039/c5cp04250j

2015-09

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Functional Oligomeric Forms of Uncoupling Protein 2: Strong Evidence for Asymmetry in Protein and Lipid Bilayer Systems

The journal of physical chemistry. B, 2021-01, Vol.125 (1), p.169-183

2021

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Quantum mechanical study of the β- and δ-lyase reactions during the base excision repair process: application to FPG

Physical chemistry chemical physics : PCCP, 2015-10, Vol.17 (38), p.24696-24706

2015

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Regulation of Proton Transport in Tetrameric UCP2 by an Intramolecular Salt-Bridge Network

Biophysical journal, 2019-02, Vol.116 (3), p.54

2019

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Identification of Catechins' Binding Sites in Monomeric A β 42 through Ensemble Docking and MD Simulations

International journal of molecular sciences, 2023-05, Vol.24 (9)

2023

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Collective interactions among organometallics are exotic bonds hidden on lab shelves

Reply to: On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds

Structural Investigation of DHICA Eumelanin Using Density Functional Theory and Classical Molecular Dynamics Simulations

Identification of Catechins’ Binding Sites in Monomeric Aβ42 through Ensemble Docking and MD Simulations

Dawn of a New Era for Membrane Protein Design

Manipulation of a DNA aptamer-protein binding site through arylation of internal guanine residues

Lewis Acid Behavior of SF4: Synthesis, Characterization, and Computational Study of Adducts of SF4 with Pyridine and Pyridine Derivatives

Erratum: “The chemical bond in external electric fields: Energies, geometries, and vibrational Stark shifts of diatomic molecules” [J. Chem. Phys. 139, 144101 (2013)]

Insights into the Polyhexamethylene Biguanide (PHMB) Mechanism of Action on Bacterial Membrane and DNA: A Molecular Dynamics Study

A new mixed-ligand complex of copper(II) containing N-(2-pyridylmethyl)-2-pyrazinecarboxamide (NPyPzCa): Synthesis, molecular and crystal structure and properties of [Cu(NPyPzCa)(NO 3)(DMSO)]

Systematically testing human HMBS missense variants to reveal mechanism and pathogenic variation

Manipulation of Diatomic Molecules with Oriented External Electric Fields: Linear Correlations in Atomic Properties Lead to Nonlinear Molecular Responses

The chemical bond in external electric fields: energies, geometries, and vibrational Stark shifts of diatomic molecules

Free Energy and Stacking of Eumelanin Nanoaggregates

Identification of Catechins’ Binding Sites in Monomeric AIβ/I[sub.42] through Ensemble Docking and MD Simulations

Structural Insight into the Discrimination between 8‑Oxoguanine Glycosidic Conformers by DNA Repair Enzymes: A Molecular Dynamics Study of Human Oxoguanine Glycosylase 1 and Formamidopyrimidine-DNA Glycosylase

A Biphasic Molecular Model for Proton Transport in Tetrameric Uncoupling Proteins

Computational Investigation of Glycosylase and β‑Lyase Activity Facilitated by Proline: Applications to FPG and Comparisons to hOgg1

Proton Transport in Mitochondrial UCP2 is Regulated by a Matrix-Oriented Salt-Bridge Network

Biphasic Proton Transport Mechanism for Uncoupling Proteins

Functional Oligomeric Forms of Uncoupling Protein 2: Strong Evidence for Asymmetry in Protein and Lipid Bilayer Systems

Quantum mechanical study of the β- and δ-lyase reactions during the base excision repair process: application to FPG

Regulation of Proton Transport in Tetrameric UCP2 by an Intramolecular Salt-Bridge Network

Identification of Catechins' Binding Sites in Monomeric A β 42 through Ensemble Docking and MD Simulations

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