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Quantum biochemical analysis of the TtgR regulator and effectors

Scientific reports, 2024-04, Vol.14 (1), p.8519-8519, Article 8519

2024

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Blockade of the checkpoint PD-1 by its ligand PD-L1 and the immuno-oncological drugs pembrolizumab and nivolumab

Physical chemistry chemical physics : PCCP, 2021-09, Vol.23 (37), p.2127-21217

2021

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Interaction energies between two antiandrogenic and one androgenic agonist receptor in the presence of a T877A mutation in prostate cancer: a quantum chemistry analysis

New journal of chemistry, 2020-04, Vol.44 (15), p.593-5912

2020

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New ethionamide boosters and EthR2: structural and energetic analysis

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (4), p.23233-23241

2021

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Optimizing the encounter rate in biological interactions: Lévy versus Brownian strategies

Physical review letters, 2002-03, Vol.88 (9), p.097901-979014, Article 097901

2002

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Vibrational Spectroscopy and Phonon-Related Properties of the l‑Aspartic Acid Anhydrous Monoclinic Crystal

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-12, Vol.119 (49), p.11791-11803

2015

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Conformational, Optoelectronic and Vibrational Properties of the Entacapone Molecule: A Quantum Chemistry Study

Journal of nanoscience and nanotechnology, 2016-05, Vol.16 (5), p.4825-4834

2016

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Quantum Biochemical Investigation of Lys49-PLA2 from Bothrops moojeni

The journal of physical chemistry. B, 2021-12, Vol.125 (47), p.12972-12980

2021

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Quantum Biochemical Investigation of Lys49-PLA 2 from Bothrops moojeni

The journal of physical chemistry. B, 2021-12, Vol.125 (47), p.12972-12980

2021

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In silico approach of modified melanoma peptides and their immunotherapeutic potential

Physical chemistry chemical physics : PCCP, 2021-02, Vol.23 (4), p.2836-2845

2021

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Spatial analysis of oil reservoirs using detrended fluctuation analysis of geophysical data

Nonlinear processes in geophysics, 2014-10, Vol.21 (5), p.1043-1049

2014

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Critical properties of the SIS model on the clustered homophilic network

Physica A, 2020-12, Vol.559, p.125067-125067, Article 125067

2020

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First-principles study of solid-state properties of adrenergic neurotransmitters, orthorhombic noradrenaline, and monoclinic adrenaline

Journal of applied physics, 2021-06, Vol.129 (23)

2021

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In silico analysis of energy interactions between nociceptin/orfanin FQ receptor and two antagonists with potential antidepressive action

New journal of chemistry, 2022-05, Vol.46 (17), p.7950-7959

2022

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Structural and optoelectronic properties, and infrared spectrum of cubic BaSnO3 from first principles calculations

Journal of applied physics, 2012-08, Vol.112 (4)

2012

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The two-dimensional site-diluted Ising model: a short-time-dynamics approach

Journal of physics. Condensed matter, 2009-08, Vol.21 (34), p.346005-346005 (7)

2009

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Ising models on the regularized Apollonian network

Physical review. E, Statistical, nonlinear, and soft matter physics, 2013-10, Vol.88 (4), p.042823-042823, Article 042823

2013

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Computational investigation of the α2β1 integrin–collagen triple helix complex interaction (This document is a collaborative effort of all authors.)

New journal of chemistry, 2018, Vol.42 (20), p.17115-17125

2018

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Range of correlations in the size distributions of plant proteins

European physical journal plus, 2023-12, Vol.138 (12), p.1132, Article 1132

2023

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Optical absorption and DFT calculations in L -aspartic acid anhydrous crystals: Charge carrier effective masses point to semiconducting behavior

Physical review. B, Condensed matter and materials physics, 2012-11, Vol.86 (19), Article 195201

2012

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Molecular modelling and quantum biochemistry computations of a naturally occurring bioremediation enzyme: Alkane hydroxylase from Pseudomonas putida P1

Journal of molecular graphics & modelling, 2017-10, Vol.77, p.232-239

2017

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Bayesian analysis of plant DNA size distribution via non-additive statistics

European physical journal plus, 2022-04, Vol.137 (4), p.495, Article 495

2022

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Exploring human porphobilinogen synthase metalloprotein by quantum biochemistry and evolutionary methods

Metallomics, 2021-04, Vol.13 (4)

2021

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Sub-diffusive electronic transport in a DNA single-strand chain with electron-phonon coupling

Journal of physics. Condensed matter, 2015-01, Vol.27 (3), p.035104-8

2015

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l‑Serine Anhydrous Crystals: Structural, Electronic, and Optical Properties by First-Principles Calculations, and Optical Absorption Measurement

Crystal growth & design, 2013-07, Vol.13 (7), p.2793-2802

2013

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Quantum biochemical analysis of the TtgR regulator and effectors

Blockade of the checkpoint PD-1 by its ligand PD-L1 and the immuno-oncological drugs pembrolizumab and nivolumab

Interaction energies between two antiandrogenic and one androgenic agonist receptor in the presence of a T877A mutation in prostate cancer: a quantum chemistry analysis

New ethionamide boosters and EthR2: structural and energetic analysis

Optimizing the encounter rate in biological interactions: Lévy versus Brownian strategies

Vibrational Spectroscopy and Phonon-Related Properties of the l‑Aspartic Acid Anhydrous Monoclinic Crystal

Conformational, Optoelectronic and Vibrational Properties of the Entacapone Molecule: A Quantum Chemistry Study

Quantum Biochemical Investigation of Lys49-PLA2 from Bothrops moojeni

Quantum Biochemical Investigation of Lys49-PLA 2 from Bothrops moojeni

In silico approach of modified melanoma peptides and their immunotherapeutic potential

Spatial analysis of oil reservoirs using detrended fluctuation analysis of geophysical data

Critical properties of the SIS model on the clustered homophilic network

First-principles study of solid-state properties of adrenergic neurotransmitters, orthorhombic noradrenaline, and monoclinic adrenaline

In silico analysis of energy interactions between nociceptin/orfanin FQ receptor and two antagonists with potential antidepressive action

Structural and optoelectronic properties, and infrared spectrum of cubic BaSnO3 from first principles calculations

The two-dimensional site-diluted Ising model: a short-time-dynamics approach

Ising models on the regularized Apollonian network

Computational investigation of the α2β1 integrin–collagen triple helix complex interaction (This document is a collaborative effort of all authors.)

Range of correlations in the size distributions of plant proteins

Optical absorption and DFT calculations in L -aspartic acid anhydrous crystals: Charge carrier effective masses point to semiconducting behavior

Molecular modelling and quantum biochemistry computations of a naturally occurring bioremediation enzyme: Alkane hydroxylase from Pseudomonas putida P1

Bayesian analysis of plant DNA size distribution via non-additive statistics

Exploring human porphobilinogen synthase metalloprotein by quantum biochemistry and evolutionary methods

Sub-diffusive electronic transport in a DNA single-strand chain with electron-phonon coupling

l‑Serine Anhydrous Crystals: Structural, Electronic, and Optical Properties by First-Principles Calculations, and Optical Absorption Measurement

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