Search Results - "FRAU, Juan" :: K.UTB vyhledávací portál

Loading…

Molecular Reactivity and Absorption Properties of Melanoidin Blue-G1 through Conceptual DFT

by Frau, Juan, Glossman-Mitnik, Daniel
Published in Molecules (Basel, Switzerland) (02.03.2018)

Get full text

Journal Article

Loading…

Conceptual DFT-Based Computational Peptidology of Marine Natural Compounds: Discodermins A-H

by Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Published in Molecules (Basel, Switzerland) (11.09.2020)

Get full text

Journal Article

Loading…

Virtual Screening of Marine Natural Compounds by Means of Chemoinformatics and CDFT-Based Computational Peptidology

by Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Published in Marine drugs (20.09.2020)

Get full text

Journal Article

Loading…

Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and Its Protonated Derivative

by Frau, Juan, Glossman-Mitnik, Daniel
Published in Frontiers in chemistry (01.05.2018)

Get full text

Journal Article

Loading…

Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors

by Frau, Juan, Glossman-Mitnik, Daniel
Published in Molecules (Basel, Switzerland) (02.02.2017)

Get full text

Journal Article

Loading…

Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A–H Peptides of Marine Origin Studied by Means of Conceptual DFT

by Frau, Juan, Flores-Holguín, Norma, Glossman-Mitnik, Daniel
Published in Marine drugs (28.08.2018)

Get full text

Journal Article

Loading…

Chemical Reactivity Theory and Empirical Bioactivity Scores as Computational Peptidology Alternative Tools for the Study of Two Anticancer Peptides of Marine Origin

by Frau, Juan, Flores-Holguín, Norma, Glossman-Mitnik, Daniel
Published in Molecules (Basel, Switzerland) (21.03.2019)

Get full text

Journal Article

Loading…

Computational prediction of the pKas of small peptides through Conceptual DFT descriptors

by Frau, Juan, Hernández-Haro, Noemí, Glossman-Mitnik, Daniel
Published in Chemical physics letters (01.03.2017)

Get full text

Journal Article

Loading…

Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A-F Marine Drugs

by Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Published in Molecules (Basel, Switzerland) (11.09.2019)

Get full text

Journal Article

Loading…

A Molecular Electron Density Theory Study of the Chemical Reactivity of Cis- and Trans-Resveratrol

by Frau, Juan, Muñoz, Francisco, Glossman-Mitnik, Daniel
Published in Molecules (Basel, Switzerland) (01.12.2016)

Get full text

Journal Article

Loading…

Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET

by Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Published in Pharmaceuticals (Basel, Switzerland) (22.04.2022)

Get full text

Journal Article

Loading…

Conceptual DFT-Based Computational Peptidology, Pharmacokinetics Study and ADMET Report of the Veraguamides A-G Family of Marine Natural Drugs

by Flores-Holguín, Norma, Ortega-Castro, Joaquín, Frau, Juan, Glossman-Mitnik, Daniel
Published in Marine drugs (24.01.2022)

Get full text

Journal Article

Loading…

Computational peptidology approach to the study of the chemical reactivity and bioactivity properties of Aspergillipeptide D, a cyclopentapeptide of marine origin

by Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Published in Scientific reports (11.01.2022)

Get full text

Journal Article

Loading…

CDFT-Based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides

by Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Published in Molecules (Basel, Switzerland) (25.07.2019)

Get full text

Journal Article

Loading…

In Silico Pharmacokinetics, ADMET Study and Conceptual DFT Analysis of Two Plant Cyclopeptides Isolated From Rosaceae as a Computational Peptidology Approach

by Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Published in Frontiers in chemistry (12.08.2021)

Get full text

Journal Article

Loading…

Formation Mechanism of Inter-Crosslink in DNA by Nitrogen Oxides Pollutants through A Diazonium Intermediate

by Hernandez-Haro, Noemi, Solis-Calero, Christian, Casasnovas, Rodrigo, Morell, Christophe, Grand, Andre, Frau, Juan, Ortega-Castro, Joaquín
Published in International journal of molecular sciences (13.09.2022)

Get full text

Journal Article

Loading…

Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target

by Anandan, Satish, Gowtham, Hittanahallikoppal Gajendramurthy, Shivakumara, C. S., Thampy, Anjana, Singh, Sudarshana Brijesh, Murali, Mahadevamurthy, Shivamallu, Chandan, Pradeep, Sushma, Shilpa, Natarajamurthy, Shati, Ali A., Alfaifi, Mohammad Y., Elbehairi, Serag Eldin I., Ortega-Castro, Joaquín, Frau, Juan, Flores-Holguín, Norma, Kollur, Shiva Prasad, Glossman-Mitnik, Daniel
Published in Scientific reports (27.12.2022)

Get full text

Journal Article