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A theoretical approach to the solvation of brassinosteroids

Journal of molecular graphics & modelling, 2009-01, Vol.27 (5), p.600-610

2009

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Essential amino acids interacting with flavonoids: A theoretical approach

International journal of quantum chemistry, 2005-05, Vol.103 (1), p.82-104

2005

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Electronic excitations of C sub(60) aggregates

Physical chemistry chemical physics : PCCP, 2012-08, Vol.14 (37), p.13058-13066

2012

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A novel in-silico approach for QSAR Studies of Anabolic and Androgenic Activities in the 17β-hydroxy-5α-androstane Steroid Family

QSAR & combinatorial science, 2005-03, Vol.24 (2), p.218-226

2005

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Single configuration interaction study on conjugated betainic chromophores based on DFT optimized geometries

Journal of molecular structure. Theochem, 1999-09, Vol.469 (1-3), p.163-176

1999

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Theoretical study of flavonoids and proline interactions. Aqueous and gas phases

Journal of molecular structure. Theochem, 2003-04, Vol.623 (1), p.63-73

2003

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Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties

The Journal of chemical physics, 2024-06, Vol.160 (21)

2024

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Assessing How Correlated Molecular Orbital Calculations Can Perform versus Kohn–Sham DFT: Barrier Heights/Isomerizations

Chemistry : a European journal, 2017-07, Vol.23 (38), p.9122-9129

2017

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Role of Augmented Basis Sets and Quest for ab Initio Performance/Cost Alternative to Kohn–Sham Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-01, Vol.124 (1), p.126-134

2020

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In silico strategy for detailing the binding modes of a novel family of peptides proven as ghrelin receptor agonists

Journal of molecular modeling, 2020-11, Vol.26 (11), p.294-294, Article 294

2020

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Prediction of molecular interactions and physicochemical properties relevant for vasopressin V2 receptor antagonism

Journal of molecular modeling, 2022-02, Vol.28 (2), p.31-31, Article 31

2022

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Electron density deformations provide new insights into the spectral shift of rhodopsins

Journal of computational chemistry, 2013-10, Vol.34 (28), p.2460-2471

2013

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Similarity measures between excited singlet and triplet electron densities in linear acenes: an application to singlet fission

Molecular physics, 2016-12, Vol.114 (24), p.3650-3657

2016

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Uranium-series isotopes transport in surface, vadose and ground waters at San Marcos uranium bearing basin, Chihuahua, Mexico

Applied geochemistry, 2012-06, Vol.27 (6), p.1111-1122

2012

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Electronic excitations of C60 aggregates

Physical chemistry chemical physics : PCCP, 2012-10, Vol.14 (37), p.1358-1366

2012

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Lung Cancer Mortality and Radon Concentration in a Chronically Exposed Neighborhood in Chihuahua, Mexico: A Geospatial Analysis

TheScientificWorld, 2014-01, Vol.2014, p.935380-11

2014

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Integrating sampling techniques and inverse virtual screening: toward the discovery of artificial peptide-based receptors for ligands

Molecular diversity, 2016-05, Vol.20 (2), p.421-438

2016

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Integration of ligand and structure-based virtual screening for identification of leading anabolic steroids

The Journal of steroid biochemistry and molecular biology, 2013-11, Vol.138, p.348-358

2013

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Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids

Journal of computational chemistry, 2008-02, Vol.29 (3), p.317-333

2008

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Anabolic and androgenic activities of 19-nor-testosterone steroids: QSAR study using quantum and physicochemical molecular descriptors

The Journal of steroid biochemistry and molecular biology, 2011-08, Vol.126 (1), p.35-45

2011

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CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphine

The Journal of chemical physics, 2007-10, Vol.127 (14), p.145102-145102

2007

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Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues

Bioorganic & medicinal chemistry, 2008-06, Vol.16 (12), p.6448-6459

2008

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Spatial analysis techniques applied to uranium prospecting in Chihuahua State, Mexico

AIP Conference Proceedings, 2014, Vol.1607 (1), p.122

2014

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Interaction of brassinolide with essential amino acid residues: A theoretical approach

Journal of molecular graphics & modelling, 2010-04, Vol.28 (7), p.604-611

2010

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SYNCHROTRON TECHNIQUES APPLIED TO FERROELECTRICS: SOME REPRESENTATIVE CASES

Integrated ferroelectrics, 2008-12, Vol.101 (1), p.101-113

2008

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A theoretical approach to the solvation of brassinosteroids

Essential amino acids interacting with flavonoids: A theoretical approach

Electronic excitations of C sub(60) aggregates

A novel in-silico approach for QSAR Studies of Anabolic and Androgenic Activities in the 17β-hydroxy-5α-androstane Steroid Family

Single configuration interaction study on conjugated betainic chromophores based on DFT optimized geometries

Theoretical study of flavonoids and proline interactions. Aqueous and gas phases

Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties

Assessing How Correlated Molecular Orbital Calculations Can Perform versus Kohn–Sham DFT: Barrier Heights/Isomerizations

Role of Augmented Basis Sets and Quest for ab Initio Performance/Cost Alternative to Kohn–Sham Density Functional Theory

In silico strategy for detailing the binding modes of a novel family of peptides proven as ghrelin receptor agonists

Prediction of molecular interactions and physicochemical properties relevant for vasopressin V2 receptor antagonism

Electron density deformations provide new insights into the spectral shift of rhodopsins

Similarity measures between excited singlet and triplet electron densities in linear acenes: an application to singlet fission

Uranium-series isotopes transport in surface, vadose and ground waters at San Marcos uranium bearing basin, Chihuahua, Mexico

Electronic excitations of C60 aggregates

Lung Cancer Mortality and Radon Concentration in a Chronically Exposed Neighborhood in Chihuahua, Mexico: A Geospatial Analysis

Integrating sampling techniques and inverse virtual screening: toward the discovery of artificial peptide-based receptors for ligands

Integration of ligand and structure-based virtual screening for identification of leading anabolic steroids

Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids

Anabolic and androgenic activities of 19-nor-testosterone steroids: QSAR study using quantum and physicochemical molecular descriptors

CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphine

Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues

Spatial analysis techniques applied to uranium prospecting in Chihuahua State, Mexico

Interaction of brassinolide with essential amino acid residues: A theoretical approach

SYNCHROTRON TECHNIQUES APPLIED TO FERROELECTRICS: SOME REPRESENTATIVE CASES

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