Profile Details

Create Project

★★★★★

☆☆☆☆☆

USD 30 /hr

★★★★★

☆☆☆☆☆

Hire Mario B.

Colombia

USD 30 /hr

Ph.D. of Chemistry - Advanced Computational Biophysics & Drug Design

Profile Summary

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!!

Subject Matter Expertise

• ☆ Physical Chemistry
• ☆ Molecular Modeling
• ☆ Chemoinformatics
• ☆ Petrochemistry
• ☆ Computational Chemistry
• ☆ Computational Biology
• ☆ Biochemistry
• ☆ Biophysics
• ☆ Drug Discovery
• ☆ Drug Target Identification
• ☆ Medicinal Chemistry
• ☆ Drug Design
• ☆ Drug Development
• ☆ Small Molecule Drug Development
• ☆ Preclinical Pharmacology

Services

• 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

Work Experience

Docente

Universidad De Santander

February 2024 - Present

Director de proyectos

Corporación Tricoderma

April 2019 - Present

Professor

Universidad de Santo Tomás - Bucaramanga

February 2013 - January 2023

Education

PhD in Chemistry (Chemistry Department)

Universidad Industrial de Santander

February 2006 - March 2012

Chemist (Chemistry Department)

Universidad Industrial de Santander

February 1999 - October 2005

Certifications

• Certification details not provided.

Publications

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). p. 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). p. 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). p. 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). p. 1522-1532.