Mario Daniel Glossman Mitnik
Medio Ambiente y Energía • INVESTIGADOR TITULAR C
• SNI EMERITO
Educación
Áreas de Interés
Últimas publicaciones
Análisis Computacional de la Trifenilamina y Trifenilfosfina como Sensibilizadores del Tipo Donador-Aceptor en Celdas Solares Sensibilizas por Colorante
Alberto Báez Castro, Tomas de Jesús Delgado Montiel, Jesús Adrián Baldenebro Lopez, Rody Abraham Soto Rojo, Daniel Glossman Mitnik, Carlos Alberto Peñuelas Gámez
Revista de Energías Renovables, Vol.12. No.55. pp1-5 (2025)Theoretical Design of Homoleptic Cu(I) Complexes with Triazine‐type Ligands and their Effect on Dye‐Sensitized Solar Cells
Carlos A. Peñuelas, Samuel Soto-Acosta, Tomás Delgado-Montiel, Rody Soto-Rojo, María Edith Ruelas-Ávila, Alberto Báez-Castro, Daniel Glossman-Mitnik, Jesús Baldenebro-López
RESEARCH ON CHEMICAL INTERMEDIATES, Vol.51. No.. pp217-234 (2025)Permeability of Antioxidants Through a Lipid Bilayer Model with Coarse-Grained Simulations
Hugo Aceves-Luna, Daniel Glossman-Mitnik, Norma Flores-Holguín
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, Vol.42. No.20. pp11251-11269 (2024)Marine Toxins as Pharmaceutical Treasure Troves: A Focus on Saxitoxin Derivatives from a Computational Point of View
Norma Flores-Holguín, Joan Sebastian Salas-Leiva, Julián Núñez-Vázquez, Erick Tovar-Ramírez, Daniel Glossman-Mitnik
MOLECULES, Vol.29. No.. pp275 (2024)Investigating the Chemical Reactivity of Kahalalides: A Promising Source of Therapeutic Peptides from Marine Natural Products Using Conceptual Density Functional Theory
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
CHEMISTRYSELECT, Vol.8. No.42. ppe202303207 (2023)Molecular Insights into the In Silico Discovery of Corilagin from Terminalia chebula as a Potential Dual Inhibitor of the SARS-CoV-2 Structural Protein
Sushma Pradeep, Shashank M Patil, Chandan Dharmashekara, Anisha S Jain, Ramith Ramu, Prithvi S Shirahatti, Subhankar P Mandal, Pruthvish Reddy, Chandrashekar Srinivasa, Shranagouda S Patil, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Chandan Shivamallu, Shiva Prasad Kollur, Daniel Glossman-Mitnik
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, Vol.41. No.20. pp10869-10884 (2023)Exploring Marine Toxins: Comparative Analysis of Chemical Reactivity Properties and Potential for Drug Discovery
Norma Flores-Holguín, Joan Sebastian Salas-Leiva, Erick Núñez-Vázquez, Dariel Tovar-Ramírez, Daniel Glossman-Mitnik
FRONTIERS IN CHEMISTRY, Vol.11. No.1286804 . pp1-14 (2023)Computational Discovery of Marine Molecules of the Cyclopeptide Family with Therapeutic Potential
Norma Flores-Holguín, Joan S. Salas-Leiva, Daniel Glossman-Mitnik
PHARMACEUTICALS, Vol.16. No.1377. pp1-20 (2023)Synthesis of a New Dinuclear Cu(I) Complex with Triazine Ligand and Diphenylphosphine Methane: X-ray Structure, Optical Properties, DFT Calculations and Application in DSSCs
Carlos A. Peñuelas, José J. Campos-Gaxiola, Rody Soto-Rojo, Adriana Cruz-Enríquez, Edgar A. Reynoso-Soto, Valentín Miranda-Soto, Juventino J. García, Marcos Flores Alamo, Jesús Baldenebro-López, Daniel Glossman Mitnik
Inorganics, Vol.11. No.10. pp379 (2023)Understanding the Chemical Reactivity and Biological Properties of Patellamides using Theoretical and Computational Methods
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
COMPUTATIONAL AND THEORETICAL CHEMISTRY, Vol.1229. No.114329. pp1-10 (2023)Talarolide A and Talaropeptides A–D: Potential Marine-Derived Therapeutic Peptides with Interesting Chemistry and Biological Activity Studied through Density Functional Theory (DFT) and Conceptual DFT
Norma Flores-Holguín, Joan S. Salas-Leiva, Daniel Glossman-Mitnik
MOLECULES, Vol.28. No.6708. pp1-12 (2023)Computational Chemistry and Molecular Modeling Techniques for the Study of Micropeptin EI-964: Insights into its Chemical Reactivity and Potential Pharmaceutical Properties
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Computational Molecular Bioscience, Vol.13. No.3. pp35-47 (2023)Exploring the Potential and Limitations of Cyclopeptides as Pharmaceutical Drugs: A Computational Peptidology Approach to the Study of Grassypeptolides A-G
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
THEORETICAL CHEMISTRY ACCOUNTS, Vol.142. No.. pp88 (2023)CDFT-Based Chemical Reactivity Properties Analysis of the Fluorine Substitution in the Selective Estrogen Receptor Modulator (SERM) Tamoxifen
Norma Flores-Holguín, Daniel Glossman-Mitnik
THEORETICAL CHEMISTRY ACCOUNTS, Vol.142. No.. pp79 (2023)Preliminary Evaluation of Lablab purpureus Phytochemicals for anti-BoHV-1 Activity Using In Vitro and In Silico Approaches
Smitha S Bhat, Sushma Pradeep, Sharanagouda S Patil, Norma Flores-Holguín, Daniel Glossman-Mitnik, Juan Frau, Sarana Rose Sommano, Nemat Ali, Mohamed Mohany, Chandan Shivamallu, Shashanka K Prasad, Shiva Prasad Kollur
ACS OMEGA, Vol.8. No.. pp22684-22697 (2023)Author Correction: Integrated Approach for Studying Bioactive Compounds from Cladosporium spp. against Estrogen Receptor alpha as Breast Cancer Drug Target
Satish Anandan, Hittanahallikoppal Gajendramurthy Gowtham, C. S. Shivakumara, Anjana Thampy, Sudarshana Brijesh Singh, Mahadevamurthy Murali, Chandan Shivamallu, Sushma Pradeep, Natarajamurthy Shilpa, Ali A. Shati, Mohammad Y. Alfaifi, Serag Eldin I. Elbehairi, Joaquín Ortega‑Castro, Juan Frau, Norma Flores‑Holguín, Shiva Prasad Kollur, Daniel Glossman‑Mitnik
SCIENTIFIC REPORTS, Vol.13. No.1. pp2328 (2023)Integrated Approach of Molecular Docking, Molecular Dynamics Simulation and Density Functional Theory (DFT) Studies of Bioactive Compounds from Cladosporium spp. against Estrogen Receptor alpha as a Promising Breast Cancer Drug Target
Satish Anandan, Hittanahallikoppal Gajendramurthy Gowtham, C.S. Shivakumara, Anjana Thampy, Sudarshana Brijesh Singh, Mahadevamurthy Murali, Chandan Shivamallu, Sushma Pradeep, Natarajamurthy Shilpa, Ali A. Shati, Mohammad Y. Alfaifi, Serag Eldin I. Elbehairi, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Shiva Prasad Kollur, Daniel Glossman-Mitnik
SCIENTIFIC REPORTS, Vol.12. No.22446. pp (2022)Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies
Mahadevamurthy Murali, Hittanahallikoppal Gajendramurthy Gowtham, Shilpa Natarajamurthy, Hemanth Kumar Naguvanahalli Krishnappa, Ana E. Ledesma, Anisha Jain, Ali A. Shati, Mohammad Y. Alfaifi, Serag Eldin I. Elbehairi, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Chandan Shivamallu, Shiva Prasad Kollur, Kestur Nagaraj Amruthesh ,Daniel Glossman-Mitnik
MOLECULES, Vol.27. No.8288. pp1-16 (2022)Anticholinesterase Activity of Areca Catechu: In Vitro and In Silico Green Synthesis Approach in Search for Therapeutic Agents Against Alzheimer’s Disease
Sushma Pradeep, Samudyata C. Prabhuswaminath, Pruthvish Reddy, Sudhanva M. Srinivasa, Ali A. Shati, Mohammad Y. Alfaifi, Serag Eldin I. Elbehairi, Raghu Ram Achar, Ekaterina Silina, Victor Stupin, Natalia Manturova, Daniel Glossman-Mitnik, Chandan Shivamallu, Shiva Prasad Kollur
FRONTIERS IN PHARMACOLOGY, Vol.13. No.1044248. pp1-23 (2022)Correction to: An Insight into Reactivity and Bioactivity Properties of Quorum Sensing Peptides Against PDE10A: A Computational Peptidology Approach
Bhargav Shreevatsa, Chandan Dharmashekara, Anisha S. Jain, Raghavendra Amachawadi, Raghu Ram Achar, Asad Syed, Chandan Shivamallu, Shiva Prasad Kollur, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik
JOURNAL OF MOLECULAR MODELING, Vol.28. No.347. pp1-2 (2022)Phytoconstituents of Withania somnifera Unveiled Ashwagandhanolide as a Potential Drug Targeting Breast Cancer: Investigations Through Computational, Molecular Docking and Conceptual DFT Studies
Hittanahallikoppal Gajendramurthy Gowtham, Mahadevamurthy Murali, Sudharshana Brijesh Singh, Chandan Shivamallu, Sushma Pradeep, C. S. Shivakumar, Satish Anandan, Raghu Ram Achar, Ekaterina Silina, Victor Stupin, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Kestur Nagaraj Amruthesh, Shiva Prasad Kollur, Daniel Glossman-Mitnik
PLOS ONE, Vol.17. No.10. ppe0275432 (2022)In Vitro Anticancer Screening, Molecular Docking and Antimicrobial Studies of Triazole-Based Nickel(II) Metal Complexes
Sachin A. Deodware, Umesh B. Barache, Pratibha C. Dhale, Kundalkesha S. Gaikwad, Chandan Shivamallu, Panchsheela A. Ubale, Ali A. Shati, Mohammad Y. Alfaifi, Serag Eldin I. Elbehairi, Raghu Ram Achar, Ekaterina Silina, Victor Stupin, Juan Frau, Norma Flores-Holguín, Shashikant H. Gaikwad, Shiva Prasad Kollur, Daniel Glossman-Mitnik
MOLECULES, Vol.27. No.6548. pp1-20 (2022)Editorial: Recent Advances, New Perspectives and Applications of Conceptual Density Functional Theory
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
FRONTIERS IN CHEMISTRY, Vol.10. No.1003106. pp1-3 (2022)Synthesis, Crystal Structure, DFT Studies and Optical-Electro-Chemical Properties of Two Novel Heteroleptic Copper(I) Complexes and Applications in DSSC
Samuel Soto-Acosta, José Campos-Gaxiola, Edgar Reynoso Soto, Adriana Cruz Enríquez, Jesús Baldenebro López, Herbert Höpfl, Juventino García-Alejandre, Marcos Flores Alamo, Valentín Miranda Soto, Daniel Glossman Mitnik
CRYSTALS, Vol.12. No.1240. pp1-19 (2022)An Insight into Reactivity and Bioactivity Properties of Quorum Sensing Peptides against PDE10A: A Computational Peptidology Approach
Bhargav Shreevatsa, Chandan Dharmashekara, Anisha S. Jain, Raghavendra Amachawadi, Raghu Ram Achar, Asad Syed, Chandan Shivamallu, Shiva Prasad Kollur, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik
JOURNAL OF MOLECULAR MODELING, Vol.28. No.209. pp1-17 (2022)Editorial: La Ciencia Computacional en las NyN
Daniel Glossman-Mitnik, Alfredo Tlahuice-Flores, Ana E. Torres-Hernández
Mundo Nano, Vol.15. No.29. pp1e-3e (2022)Four-Coordinate Monoboron Complexes with 8-Hydroxyquinolin-5-Sulfonate: Synthesis, Crystal Structures, DFT Studies and Luminescence Properties
Glenda Y. Ruelas-Álvarez, A. Jaquelin Cárdenas-Valenzuela, Luis L. Galaviz-Moreno, Adriana Cruz, José J. Campos-Gaxiola, Herbert Höpfl, Jesús Baldenebro-López, Eva C. Vargas Olvera, Valentín Miranda-Soto, Daniel Glossman-Mitnik
CRYSTALS, Vol.12. No.783. pp1-25 (2022)Computational Nanochemistry Study of the Alisporivir and Cyclosporin A Antimicrobial Peptides through Conceptual DFT-based Computational Peptidology and Pharmacokinetics
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Mundo Nano, Vol.15. No.29. pp1e-17e (2022)Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
PHARMACEUTICALS, Vol.15. No.509. pp1-10 (2022)Oxidation Degree of a Cell Membrane Model and its Response to Structural Changes, A Coarse-Grained Molecular Dynamics Approach
Hugo Aceves-Luna, Daniel Glossman-Mitnik, Norma Flores-Holguín
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, Vol.40. No.5. pp1930-1941 (2022)N-((1H-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry Investigations
Vinusha H. Mariwamy, Shiva Prasad Kollur, Bindya Shivananda, Muneera Begum, Chandan Shivamallu, Chandan Dharmashekara, Sushma Pradeep, Anisha S. Jain, Shashanka K. Prasad, Asad Syed, Abdallah M. Elgorban, Salim Al-Rejaie, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik
MOLECULES, Vol.27. No.1436. pp1-21 (2022)Conceptual DFT-based Computational Peptidology, Pharmacokinetics Study and ADMET Report of the Veraguamides A–G Family of Marine Natural Drugs
Norma Flores-Holguín, Joaquín Ortega-Castro, Juan Frau, Daniel Glossman-Mitnik
MARINE DRUGS, Vol.20. No.97. pp1-14 (2022)Computational Peptidology Approach to the Study of the Chemical Reactivity and Bioactivity Properties of Aspergillipeptide D, a Cyclopentapeptide of Marine Origin
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
SCIENTIFIC REPORTS, Vol.12. No.506. pp1-13 (2022)Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT-based Estimation of the Chemical Reactivity Properties of Marine Cyclopeptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
CHEMISTRYOPEN, Vol.10. No.11. pp1142-1149 (2021)Virtual Screening for Potential Phytobioactives as Therapeutic Leads to Inhibit NQO1 for Selective Anticancer Therapy
Bhargav Shreevatsa, Chandan Dharmashekara, Vikas Halasumane Swamy, Meghana V. Gowda, Raghu Ram Achar, Vivek Hamse Kameshwar, Rajesh Kumar Thimmulappa, Asad Syed, Abdallah M. Elgorban, Norma Flores-Holguín, Salim S. Al-Rejaie, Joaquín Ortega-Castro, Juan Frau, Chandan Shivamallu, Shiva Prasad Kollur, Daniel Glossman-Mitnik
MOLECULES, Vol.26. No.22. pp6863 (2021)An Integrated Molecular Modeling Protocol for Drug Screening Based on Conceptual Density Functional Theory and Chemoinformatics for the Study of Marine Cyclopeptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
JOURNAL OF MOLECULAR MODELING, Vol.27. No.314. pp1-9 (2021)Synthesis, Computational Pharmacokinetics Report, Conceptual DFT-based Calculations and anti-Acetylcholinesterase Activity of Hydroxyapatite Nanoparticles Derived from Acorus calamus Plant Extract
Sushma Pradeep, Anisha S Jain, Chandan Dharmashekara, Shashanka Prasad, Nagaraju Akshatha, Raghavendra G Amachawadi, Asad Syed, Abdallah Elgorban, Ali H Bahkali, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguin, Chandan Shivamallu, Shiva Prasad Kollur, Daniel Glossman-Mitnik
FRONTIERS IN CHEMISTRY, Vol.9. No.741037. pp1-18 (2021)A CDFT-based Computational Peptidology (CDFT-CP) Study of the Chemical Reactivity and Bioactivity of the Marine-derived Alternaramide Cyclopentadepsipeptide
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
JOURNAL OF CHEMISTRY, Vol.2021. No.2989611. pp11 (2021)In Silico Pharmacokinetics, ADMET Study and Conceptual DFT Analysis of Two Plant Cyclopeptides Isolated from Rosaceae as a Computational Peptidology Approach
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
FRONTIERS IN CHEMISTRY, Vol.9. No.708364. pp (2021)Chemical Synthesis, in vitro Biological Evaluation and Theoretical Investigations of Transition Metal Complexes Derived from 2-(((5-mercapto-1H-pyrrol-2-yl)imino) methyl)6-methoxyphenol
Honnalagere Mariswamy Vinusha, Shiva Prasad Kollur, Muneera Begum, Chandan Shivamallu, Ramith Ramu, Prithvi S. Shirahatti, Nagendra Prasad, Ravindra Veerapur, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik
JOURNAL OF MOLECULAR STRUCTURE, Vol.1244. No.130920. pp1-11 (2021)Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl)Pyrrolo[1,2-a]Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and CDFT-based Chemical Reactivity Descriptors and Pharmacokinetics Evaluation
Vijayakumar Uppar, Sandeep Chandrashekharappa, Chandan Shivamallu, Sushma P, Shiva Prasad Kollur, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Atiyaparveen I Basarikatti, Mallikarjun Chougala, Mrudula Mohan M, Govindappa Banuprakash, Jayadev, Katharigatta N. Venugopala, B P Nandeshwarappa, Asad Syed, Najat Marraiki, Kiran K Mudnakudu-Nagaraju, Basavaraj Padmashali, Daniel Glossman-Mitnik
MOLECULES, Vol.26. No.2722. pp1-20 (2021)Evaluation of Annona muricata Acetogenins as Potential Anti-SARS-CoV-2 Agents Through Computational Approaches
Shashanka K. Prasad, Sushma Pradeep, Chandan Shimavallu, Shiva Prasad Kollur, Asad Syed, Najat Marraiki, Chukwuebuka Egbuna, Mihnea-Alexandru Gaman, Olga Kosakowska, William C. Cho, Kingsley Chukwuemeka Patrick-Iwuanyanwu, Joaquín Ortega Castro, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik
FRONTIERS IN CHEMISTRY, Vol.8. No.624716. pp1-7 (2021)Molecular Docking and Conceptual DFT-based Study of some Potential SARS-CoV-2 Inhibitors
Norma Flores-Holguín, Daniel Glossman-Mitnik
SIN REVISTA, Vol.10. No.4. pp111-128 (2020)Molecular Docking and Conceptual DFT-Based Study of Some Potential SARS-CoV-2 Inhibitors
Norma Flores-Holguín, Daniel Glossman-Mitnik
Computational Molecular Bioscience, Vol.10. No.4. pp111-128 (2020)Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3H)-Quinazolinone-Derived Schiff Base
Ubale Panchsheela Ashok, Shiva Prasad Kollur, Nishad Anil, Bansode Prakash Arun, Sanjay Namdev Jadhav, Sanjay Sarsamkar, Vasant Baburao Helavi, Asha Srinivasan, Sandeep Kaulage, Ravindra Veerapur, Sarah Al-Rashed, Asad Syed , Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik
MOLECULES, Vol.25. No.24. pp5973 (2020)KID Procedure Applied on the [(PY5Me2)MoO]+ Complex
Daniel Glossman-Mitnik, Jorge Martínez Araya
ACS OMEGA, Vol.5. No.47. pp30549-30555 (2020)Virtual Screening of Marine Natural Compounds by Means of Chemoinformatics and CDFT-Based Computational Peptidology
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
MARINE DRUGS, Vol.18. No.1-17. pp478 (2020)Conceptual DFT-Based Computational Peptidology of Marine Natural Compounds: Discodermins A-H
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
MOLECULES, Vol.25. No.4158. pp1-20 (2020)Theoretical Study of the Effect of π-Bridge on Optical and Electronic Properties of Carbazole-Based Sensitizers for DSSCs
Tomás Delgado-Montiel, Jesús Baldenebro-López, Rody Soto-Rojo, Daniel Glossman-Mitnik
MOLECULES, Vol.25. No.3670. pp1-17 (2020)In vitro Anticancer Activity of 4(3H)-Quinazolinone Derived Schiff Base and its Cu(II), Zn(II) and Cd(II) Complexes: Preparation, X-ray Structural, Spectral Characterization and Theoretical Investigations
Ubale Panchsheela Ashok, Shiva Prasad Kollur, Bansode Prakash Arun, Chavan Sanjay, Karhale Shrikrishna Suresh, Nishad Anil, Helavi Vasant Baburao, Datta Markad, Joaquín Ortega Castro, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik
INORGANICA CHIMICA ACTA, Vol.511. No.119846. pp1-10 (2020)Influence on the Reactivity Properties of the Substitution by Different Halogens on the Conjugated Backbone of the 1,3,5-triaryl-2-pyrazoline Skeleton in Relation to the Increasing Alkyloxy Chain Length: A Conceptual Density Functional Theory Study
Norma Flores-Holguín, Asghar Abbas, Daniel Glossman-Mitnik
JOURNAL OF MOLECULAR MODELING, Vol.26. No.174. pp1-12 (2020)Theoretical Modifications of the Molecular Structure of Aurantinidin and Betanidin Dyes to Improve their Efficiency as Dye Sensitized Solar Cells
Aanuoluwapo Raphael Obasuyi, Daniel Glossman-Mitnik, Norma Flores-Holguín
JOURNAL OF COMPUTATIONAL ELECTRONICS, Vol.19. No.2. pp507-515 (2020)Crystal Structure, Hirshfeld Surface, DFT and Photophysical Properties of 2,4,5-tris(4-pyridyl)imidazole Hidrogen Chloride
Edith Ruelas Ávila, Adriana Cruz-Enríquez, José J Campos Gaxiola, Jesús Baldenebro López, Herbert Hopfl, Valentín Miranda Soto, Daniel Glossman-Mitnik
JOURNAL OF MOLECULAR STRUCTURE, Vol.1213. No.128175. pp1-13 (2020)Crystal structure, Hirshfeld Surface, DFT Calculations and Photophysical Properties of 2,4,5-tris(4-pyridyl)imidazole Hydrogen Chloride
María Edith Ruelas-Àvila, Adriana Cruz-Enríquez, José J Campos-Gaxiola, Jesús Baldenebro-López, Herbert Höpfl, Valentín Miranda-Soto, Daniel Glossman-Mitnik
JOURNAL OF MOLECULAR STRUCTURE, Vol.1213. No.128175. pp1-13 (2020)A Fast and Simple Evaluation of the Chemical Reactivity Properties of the Pristinamycin Family of Antimicrobial Peptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
CHEMICAL PHYSICS LETTERS, Vol.739. No.137021. pp1-5 (2020)Theoretical Assessment of Antioxidant Property of Polyproponoid and its Derivatives
K. Anbazhakan, K. Sadasivam, R. Praveena, Guillermo Salgado, Wilson Cardona, Daniel Glossman-Mitnik, Lorena Gerli
STRUCTURAL CHEMISTRY, Vol.31. No.. pp1089-1094 (2020)
Libros
Computational Chemistry Study of Natural Apocarotenoids and their Synthetic Glycopeptide Conjugates as Therapeutic Drugs
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
IntechOpen, 2022 Reino Unido, ISBN:ISBN: 978-1-80355-424-2, Print ISBN: 978-1-80355-423-5, EBook (PDF) ISBN: 978-1-80355-425-9Density Functional Theory - Recent Advances, New Perspectives and Applications
Daniel Glossman-Mitnik
IntechOpen, 2022 Reino Unido, ISBN:Print ISBN: 978-1-83969-845-3 - EBook ISBN: 978-1-83969-847-7Evaluation of Annona muricata Acetogenins as Potential Anti-SARS-CoV-2 Agents Through Computational Approaches
Shashanka K Prasad, Sushma Pradeep, Chandan Shimavallu, Shiva Prasad Kollur, Asad Syed, Najat Marraiki, Chukwuebuka Egbuna, Mihnea-Alexandru Gaman, Olga Kosakowska, William C. Cho, Kingsley Chukwuemeka Patrick-Iwuanyanwu, Joaquín Ortega Castro, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik
Frontiers Media SA, 2021 Suiza, ISBN:978-2-88971-872-6Determination of Chemical Reactivities of Oxytocin and Vasopressin Peptide Hormones Studied through Conceptual Density Functional Theory (CDFT) and Molecular Electron Density Theory (MEDT)
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Book Publisher International, 2021 India, ISBN:ISBN: 978-93-91882-28-0 (Print), ISBN: 978-93-91882-38-9 (eBook)About the Computational Prediction of the Maximum Absorption Wavelengths of Indigo in Different Solvents with the Minnesota Family of Density Functionals
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Book Publishers International, 2021 India, ISBN:ISBN 978-93-91473-81-5 (Print) ISBN 978-93-91473-88-4 (eBook)Study on the Molecular Reactivity of the Dansylglycine in Water and Dioxane Estimated through Conceptual DFT
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Book Publishers International, 2021 India, ISBN:ISBN 978-93-91473-81-5 (Print) ISBN 978-93-91473-88-4 (eBook)Determining the Informatics and Conceptual DFT Study of Pigments Derived from Carotenoids of Marine Origin
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Book Publishers International, 2021 India, ISBN:ISBN 978-93-91473-81-5 (Print) ISBN 978-93-91473-88-4 (eBook)The Reactivity Sites of Amyloid beta-Peptides Abeta40 and Abeta42 in Alzheimer's Disease: Computational Prediction
Juan Frau, Daniel Glossman-Mitnik
Book Publisher International, 2021 Reino Unido, ISBN:Print ISBN: 978-93-91312-07-7, eBook ISBN: 978-93-91312-12-1Revisiting the Validation of the KID Methodology through CDFT Descriptors of Fluorescent DNA Staining Dyes
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Book Publisher International, 2021 Reino Unido, ISBN:Print ISBN: 978-93-91312-07-7, eBook ISBN: 978-93-91312-12-1A Short Update on Cheminformatics for Prompting the Process of Drug Design and Discovery
Daniel Glossman-Mitnik
Book Publisher International, 2021 Reino Unido, ISBN:Print ISBN: 978-93-91312-07-7, eBook ISBN: 978-93-91312-12-1Study on the Computational Nutraceutics of a Citrus Flavonoid: An Approach Using Conceptual Density Functional Theory (CDFT)
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Book Publishers International, 2021 India, ISBN:ISBN 978-93-91473-81-5 (Print) ISBN 978-93-91473-88-4 (eBook)Repurposing Drugs for the Inhibition of Advanced Glycation Inhibition: A Computational Study of the Chemical Reactivity Properties of the Met-Enkephalin Neurotransmitter Peptide by Means of Conceptual DFT
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Nova Science Publishers, Inc, 2021 Estados Unidos de América, ISBN:978-1-53619-176-9Conceptual DFT as a Chemoinformatics Tool for the Study of the Clavanin Family of Antimicrobial Marine Peptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
IntechOpen, 2021 Reino Unido, ISBN:978-1-83881-083-2Solvents, Ionic Liquids and Solvent Effects
Daniel Glossman-Mitnik, Magdalena Maciejewska
IntechOpen, 2020 Reino Unido, ISBN:Print ISBN 978-1-78985-281-3 - Online ISBN 978-1-78985-282-0 - eBook (PDF) ISBN 978-1-83968-530-9Chemical Reactivity Properties and Bioactivity Scores of the Angiotensin II Vasoconstrictor Octapeptide
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
IntechOpen, 2020 Reino Unido, ISBN:978-1-83962-518-3Conceptual DFT as a Novel Chemoinformatics Tool for Studying the Chemical Reactivity Properties of the Amatoxin Family of Fungal Peptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Vide Leaf, 2020 India, ISBN:978-93-90014-08-8CDFT-Based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Vide Leaf, 2020 India, ISBN:978-81-945175-2-8Molecular Reactivity and Absorption Properties of Melanoidin Blue-G1 through Conceptual DFT
Juan Frau, Daniel Glossman-Mitnik
Avid Science, 2019 India, ISBN:978-93-88170-53-6Reflections on the Use of Density Functional Theory in the Understanding of the Effects of Moderate Amounts of Sulfur Substitutional Impurities on ZnO
Manuel Alberto Flores-Hidalgo, Diana Barraza Jiménez, Daniel Glossman-Mitnik
ScienceDomain International, 2019 México, ISBN:978-93-89246-08-7Morphological Investigation and Fractal Properties of Realgar Nanoparticles
Amir Lashgari, Shahriar Ghamami, Zahra Bahrami, Farzaneh Shomossi, Guillermo Salgado-Morán, Daniel Glossman-Mitnik
AvidScience, 2019 India, ISBN:978-93-88170-52-9Local Molecular Reactivity of the Colored Dansylglycine in Water and Dioxane Studied through Conceptual DFT
Juan Frau, Daniel Glossman-Mitnik
Avid Science, 2019 India, ISBN:978-9388170-50-6Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and Its Protonated Derivative
Juan Frau, Daniel Glossman-Mitnik
Avid Science, 2019 India, ISBN:978-9388170-50-6Reflections on the Glycating Power of Simple Carbohydrates in the Maillard Reaction: The Conceptual DFT Viewpoint
Juan Frau, Daniel Glossman-Mitnik
ScienceDomain International, 2019 Estados Unidos de América, ISBN:978-93-89246-56-8Computational Analysis of a Colored Maillard Reaction Product from the Conceptual Density Functional Theory Viewpoint
Juan Frau, Daniel Glossman-Mitnik
ScienceDomain International, 2019 Estados Unidos de América, ISBN:978-81-934224-6-5Density Functional Theory
Daniel Glossman-Mitnik
IntechOpen, 2019 Reino Unido, ISBN:Print ISBN 978-1-78985-167-0 - Online ISBN 978-1-78985-168-7 - eBook (PDF) ISBN 978-1-83881-836-4Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and its Deprotonated Derivative
Juan Frau, Daniel Glossman-Mitnik
Frontiers Media SA, 2018 Suiza, ISBN:978-2-88945-626-0A Combined Molecular Docking and Electronic Structure Study for a Breast Cancer Drug Design
Linda Lucila Landeros-Martínez, Daniel Glossman-Mitnik, Erasmo Orrantia-Borunda, Norma Flores-Holguín
IntechOpen, 2018 Reino Unido, ISBN:Print ISBN 978-1-78923-354-4 - Online ISBN 978-1-78923-355-1 - eBook (PDF) ISBN 978-1-83881-432-8Assessment of the Validity of Some Minnesota Density Functionals for the Prediction of the Chemical Reactivity of the SYBR Green I and Ethidium Bromide Nucleic Acid Stains
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
InTech, 2018 México, ISBN:978-1-78923-133-5Electronic Structure of Carotenoids in Natural and Artificial Photosynthesis
Manuel Flores-Hidalgo, Francisco Torres-Rivas, Jesús Monzón-Bensojo, Miguel Escobedo-Bretado, Daniel Glossman‐Mitnik, Diana Barraza‐Jiménez
IntechOpen, 2017 Reino Unido, ISBN:Print ISBN 978-953-51-3211-0 - Online ISBN 978-953-51-3212-7 - eBook (PDF) ISBN 978-953-51-4791-6Computational Nanochemistry Report of the Molecular Structure, Properties and Chemical Reactivity of Pheophorbide a
Daniel Glossman-Mitnik
Springer Science+Business Media - ISBN 978-94-017-8847-2 - DOI: 10.1007/978-94-017-8848-9, 2014 Estados Unidos de América, ISBN:978-94-017-8847-2Computational Nanochemistry Study of the Molecular Structure, Spectra and Chemical Reactivity Properties of the BFPF Green Fluorescent Protein Chromophore
Daniel Glossman-Mitnik
VBRi Press - WILEY Scrivener Publishing - ISBN 978-1-118-77351-2, 2014 Estados Unidos de América, ISBN:978-1-118-77351-2Computational Molecular Nanoscience Study of Copper Complexes for Dye-Sensitized Solar Cells
Jesús Baldenebro-López, Daniel Glossman-Mitnik
Society for Nanomolecular Photovoltaics - SEFIN, 2012 España, ISBN:978-84-940189-9-2Molecular Design of Organic Nonlinear Optics: Dipole Moment, Polarizability and Hyperpolarizability of Thiadiazole Oligomers Investigated by Density Functional Theory Methods
Alfredo Márquez-Lucero, Norma Flores-Holguín, Daniel Glossman-Mitnik
SPIE Press, 2002 Estados Unidos de América, ISBN:Charge Sensitivity Analysis of Substituted Thiadiazoles
Daniel Glossman
Universidade de Santa Catarina Press, 1996 Brasil, ISBN:Atomic Structure of Metallic Clusters of Medium Size
Julio A. Alonso, Daniel Glossman, M. Pilar Iñiguez
World Scientific , 1993 Singapur, ISBN:Improved Variational Calculations with Atomic Energy Functionals Using an Additional Restriction on the Density
M. Daniel Glossman, Eduardo A. Castro
Springer-Verlag, 1991 Estados Unidos de América, ISBN:0-387-97512-8 - 3-540-97512-8Solvents, Ionic Liquids and Solvent Effects
Daniel Glossman-Mitnik, Magdalena Maciejewska
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