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Mario B. に連絡

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プロフィール詳細

プロジェクトを作成

★★★★★

☆☆☆☆☆

★★★★★

☆☆☆☆☆

Dr. Mario B.に依頼

Colombia

Ph.D. Chemistry | Expert: Molecular modeling - Computational Biophysics - Drug Design

プロフィール概要

Expert in Molecular Simulation (Molecular Dynamics, Molecular Docking, Optimization, Structure Prediction, Drug Design, etc).

More than 20 years as a professor and researcher.
Teaching various university-level courses such as Physical Chemistry, Biochemistry, and Quantum Chemistry (undergraduate and postgraduate levels).

My research, often at the forefront of innovation, has been instrumental in the field, focusing on drug design; insecticide development, larvicidal activity studies, and more, with several notable publications to my credit.

20 years as a consultant researcher. Understanding the industrial process at a molecular level and designing materials.

I have a profound command of molecular modeling software like GAUSSIAN, GAMESS, MOPAC, PySCF, GROMACS, NAMD, LAMMPS, AMBER, AutoDock, Vina, ZDock, HADDOCK; visualization software like VMD, ChimeraX, PyMOL, Ovito, MarvinSketch, and a suite of bioinformatics tools (ADMEtox, molmin), which have been central to my research endeavors. These include evaluating, predicting, and understanding (Analysis):
- biomolecular structures
- protein-ligand interactions 
- protein-protein interactions 
- antigen-antibody interactions 
- protein-nucleic acid interactions 
- biomaterial structures 
- Spontaneity of molecular processes 
...contributing significantly to both academic and industry applications.
Python coding expertise for the extraction of properties of compounds, as well as the training and utilization of AI (artificial intelligence) models for the prediction of compounds in the context of drug design (Computer-Aided Drug Design - CADD). Also used deep generative models (machine learning) for the discovery of new molecules (drug discovery) and materials.

My skill set extends beyond academic research. I am proficient in various operating systems (Linux, macOS, Windows) and adept at scripting for seamless simulation program operations. Even during challenging times, such as the COVID-19 pandemic, my expertise in remote molecular simulation research ensured uninterrupted, high-quality results.

I offer my deep-rooted knowledge and innovative approach to solving complex molecular and material design challenges, bridging the gap between microscopic processes and macroscopic applications in academic and industrial settings.

Let's collaborate to advance your project with cutting-edge scientific insights and solutions!!

専門分野

サービス

Writing
Research
Consulting
Data & AI

Writing Technical Writing

Research User Research, Scientific and Technical Research, Systematic Literature Review

Consulting Scientific and Technical Consulting

Data & AI Predictive Modeling, Data Visualization

職務経験

Professor - Researcher

Universidad De Santander

2月 2024 - 現在

Project Manager - Researcher

Corporación Tricoderma

4月 2019 - 現在

Freelancer - Bioinformatics Researcher

Darrow Industries

5月 2025 - 8月 2025

Freelancer - Bioinformatics Researcher

Alixia

7月 2024 - 1月 2025

Professor

Universidad Americana

8月 2023 - 10月 2023

Professor

Universidad Manuela Beltrán

1月 2023 - 6月 2023

Professor

Universidad Santo Tomás

8月 2015 - 3月 2023

Professor - Researcher

Universidad de Santo Tomás - Bucaramanga

2月 2013 - 1月 2023

Professor

Universidad Benito Juárez García

7月 2022 - 10月 2022

Consultant - Researcher

Cooperativa de Tecnólogos e Ingenieros de la Industria del Petróleo y Afines

4月 2019 - 4月 2021

Consultant - Researcher

Cooperativa de Trabajadores Profesionales Ltda

7月 2013 - 12月 2013

Professor - Researcher

Universidad Libre de Colombia

7月 2012 - 12月 2012

学歴

PhD in Chemistry (Chemistry Department)

Universidad Industrial de Santander

2月 2006 - 3月 2012

Chemist (Chemistry Department)

Universidad Industrial de Santander

2月 1999 - 10月 2005

認定資格

認定資格の詳細は未入力です。

出版物

JOURNAL ARTICLE

Portilla-Pulido, J.S., Castillo-Morales, R.M., Barón-Rodríguez, M.A., Duque, J.E., Mendez-Sanchez, S.C.(2020). Design of a Repellent Against Aedes aegypti (Diptera: Culicidae) Using in silico Simulations with AaegOBP1 Protein . Journal of Medical Entomology. 57. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 463-476.

Rosado-Solano, D.N., Barón-Rodríguez, M.A., Sanabria Florez, P.L., Luna-Parada, L.K., Puerto-Galvis, C.E., Zorro-González, A.F., Kouznetsov, V.V., Vargas-Méndez, L.Y.(2019). Synthesis, Biological Evaluation and in Silico Computational Studies of 7-Chloro-4-(1 H-1,2,3-triazol-1-yl)quinoline Derivatives: Search for New Controlling Agents against Spodoptera frugiperda (Lepidoptera: Noctuidae) Larvae . Journal of Agricultural and Food Chemistry. 67. (33). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 9210-9219.

Susan B. Pérez-Cabeza, Nicolás Morón Angarita, Martha Cervantes, Mario A. Barón-Rodríguez (2017). Evaluación del potencial antioxidante en extracto de espinaca por voltamperometría cíclica . Revista ION.

Mendoza, V.L., Barón-Rodríguez, M.A., Blanco, C., Vachet, R.W.(2011). Structural insights into the pre-amyloid tetramer of β-2-microglobulin from covalent labeling and mass spectrometry . Biochemistry. 50. (31). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 6711-6722.

Mendoza, V.L., Antwi, K., Barón-Rodríguez, M.A., Blanco, C., Vachet, R.W.(2010). Structure of the preamyloid dimer of β-2-microglobulin from covalent labeling and mass spectrometry . Biochemistry. 49. (7). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1522-1532.

level-one heading

Ph.D. Chemistry | Expert: Molecular modeling - Computational Biophysics - Drug Design

Professor - Researcher

Universidad De Santander

Project Manager - Researcher

Corporación Tricoderma

Freelancer - Bioinformatics Researcher

Darrow Industries

Freelancer - Bioinformatics Researcher

Alixia

Professor

Universidad Americana

Professor

Universidad Manuela Beltrán

Professor

Universidad Santo Tomás

Professor - Researcher

Universidad de Santo Tomás - Bucaramanga

Professor

Universidad Benito Juárez García

Consultant - Researcher

Cooperativa de Tecnólogos e Ingenieros de la Industria del Petróleo y Afines

Consultant - Researcher

Cooperativa de Trabajadores Profesionales Ltda

Professor - Researcher

Universidad Libre de Colombia

PhD in Chemistry (Chemistry Department)

Universidad Industrial de Santander

Chemist (Chemistry Department)

Universidad Industrial de Santander