Dr. Miguel Fernández | Computational Chemistry | Best Researcher Award

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Dr. Miguel Fernández | Computational Chemistry | Best Researcher Award

Dr. Miguel Fernández , Instituto Venezolano de Investigaciones Cientificas IVIC , Venezuela

Dr. Miguel Antonio Fernández Castellanos is a Venezuelan computational chemist with expertise in molecular modeling and theoretical chemistry. Based in San Antonio de los Altos, Venezuela, he is a researcher at the Laboratory of Computational Chemistry at IVIC, where he models the antioxidant effects of magnesium salts and maintains HPC servers. With a Ph.D. in Chemistry from IVIC, Dr. Fernández has made notable contributions to understanding molecular interactions through computational simulations. He has authored numerous peer-reviewed publications and presented at national and international conferences. Dr. Fernández is the recipient of prestigious awards, including the Dr. Arnoldo Gabaldón Award and the National Science, Technology, and Innovation Award, recognizing his outstanding research in chemistry.

Professional Profile

Orcid

Scopus  

Summary of Suitability for Award:

Dr. Miguel Antonio Fernández Castellanos is an exceptional candidate for the “Best Researcher Award” due to his outstanding contributions to computational and theoretical chemistry. With a Ph.D. from IVIC, Dr. Fernández has authored numerous high-impact publications focusing on antioxidant mechanisms, lipid bilayer oxidation, and magnesium salt interactions. His work combines advanced molecular dynamics, electronic structure methods, and theoretical modeling to address critical challenges in chemistry and biomedicine. Dr. Miguel Antonio Fernández Castellanos is a highly deserving candidate for the “Best Researcher Award.” His innovative contributions, recognized excellence, and impactful research addressing critical chemical and biomedical challenges solidify his place as an exemplary researcher whose work resonates globally.

🎓Education:

Dr. Fernández earned his Ph.D. in Chemistry from the Instituto Venezolano de Investigaciones Científicas (IVIC) in 2021, specializing in molecular dynamics and electronic structure methods. He holds a Bachelor’s degree in Chemistry from the Universidad de Carabobo (UC), completed in 2012. His academic background combines robust theoretical training with practical expertise in computational chemistry, focusing on the simulation of complex molecular systems and the study of antioxidant mechanisms of magnesium salts. His advanced technical skills include molecular dynamics software (ORCA, GROMACS) and programming languages such as Python and BASH, enabling him to address cutting-edge research questions in chemistry.

🏢Work Experience:

Dr. Fernández has a rich professional background in research and academia. He has been a researcher at IVIC’s Laboratory of Computational Chemistry since 2021, focusing on magnesium salts’ antioxidant effects. He completed a postdoctoral fellowship at IVIC (2021–2024) and previously worked as a Teaching Assistant at the Universidad de Carabobo, teaching General and Organic Chemistry and assisting in laboratory practices. His responsibilities include managing laboratory resources, maintaining HPC servers, and conducting advanced molecular modeling. Dr. Fernández has actively contributed to scientific knowledge dissemination through publications, conferences, and posters, showcasing his expertise in computational simulations and theoretical chemistry.

🏅Awards: 

Dr. Fernández’s accomplishments have been recognized with several prestigious awards. He received the Dr. Arnoldo Gabaldón Award (2023) from ACFIMAN for his contributions as a young scientist in Venezuela. In 2021, he won the National Science, Technology, and Innovation Award for his groundbreaking work on magnesium sulfate’s antioxidant effects. Additionally, he has been part of the Laboratory of Computational Chemistry team, which received the Consolidated Research Group Award. Dr. Fernández also earned the IVIC Excellence Scholarship for his doctoral studies, reflecting his dedication to advancing computational chemistry and his impact on scientific research in Venezuela.

🔬Research Focus:

Dr. Fernández’s research explores computational chemistry, focusing on molecular dynamics and antioxidant mechanisms of magnesium salts. He investigates spin-electron stabilization in hydroxyl radicals, lipid bilayer oxidation, and bioinorganic interactions using advanced DFT calculations. His studies contribute to understanding cellular processes and oxidative stress, bridging theoretical chemistry with biomedical applications. He also explores interfacial properties of surfactant systems and proton transfer phenomena in hydrated magnesium complexes. Dr. Fernández’s work employs state-of-the-art simulation tools, including ORCA and GROMACS, to advance theoretical insights into chemical and biological systems, addressing fundamental and applied challenges in chemistry.

Publication Top Notes:

Title: Relevance of SOMO-HOMO inversion in the antioxidant activity of MgSO4-OH radical complex: A theoretical insight
Authors: Miguel Fernández
Citations: Not available
Year: 2025

Title: Antioxidant Activity of MgSO4 Ion Pairs by Spin-Electron Stabilization of Hydroxyl Radicals through DFT Calculations: Biological Relevance
Authors: Miguel Fernández
Citations: Not available
Year: 2024

Title: A literature review of the increased intracellular free calcium concentration by biofield therapy or laser exposure. An explanation by using a theoretical study of hydrated calcium ions
Authors: Miguel Fernández
Citations: Not available
Year: 2024

Title: Comités de bioética: exponiendo los desafíos bioéticos actuales
Authors: Miguel Fernández
Citations: Not available
Year: 2023

Title: Magnesium salts in pregnancy
Authors: Miguel Fernández
Citations: Not available
Year: 2023

Title: Effect of magnesium sulfate in oxidized lipid bilayers properties by using molecular dynamics
Authors: Miguel Fernández
Citations: Not available
Year: 2021

Title: Deslocalización de la densidad de espín del radical hidroxilo sobre el MgSO4. Un estudio teórico
Authors: Miguel Fernández
Citations: Not available
Year: 2019

Title: Hydration study of MgSO4 using different theoretical and model approaches: ¿Is there a proton transfer?
Authors: Miguel Fernández
Citations: Not available
Year: 2018

Title: Magnesium sulfate against oxidative damage of membrane lipids: A theoretical model
Authors: Miguel Fernández
Citations: Not available
Year: 2017

Title: Análisis teórico de la fluorescencia de emisión de metalo-tetrafenil-porfirinas usando teoría del funcional de la densidad dependiente del tiempo
Authors: Miguel Fernández
Citations: Not available
Year: 2014

 

 

 

 

Ms. Shrimanti Chakraborty | Computational Chemistry Award | Best Researcher Award

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Ms. Shrimanti Chakraborty | Computational Chemistry Award | Best Researcher Award

Ms. Shrimanti Chakraborty, Birla Institute of Technology, Mesra , India

Shrimanti Chakraborty is a dedicated aspiring research scientist in the field of Medicinal Chemistry. Currently pursuing a Master of Pharmacy in Pharmaceutical Chemistry at Birla Institute of Technology, Mesra, India, she is passionate about advancing pharmaceutical solutions that impact human health. With a solid academic foundation, she has contributed to research on green synthesis of nanoparticles and novel antimicrobial compounds. She has also gained valuable industry experience through internships and research projects, such as her work on molecular docking studies and drug discovery. As a dedicated student leader, Shrimanti holds various academic and extracurricular positions, contributing to her professional growth and development in scientific fields.

 

Professional Profile:

Google Scholar

 

Summary of Suitability for Award:

Shrimanti Chakraborty is a highly qualified and accomplished researcher with a strong track record in academic achievements, publications, and practical experience. Her research in medicinal chemistry, combined with her leadership skills and industry exposure, makes her an excellent candidate for the Best Researcher Award. Her contributions to the scientific community are poised to make a significant impact, showcasing her as an emerging leader in the field.

 

🎓Education:

Shrimanti Chakraborty completed her Bachelor of Pharmacy (BPharm) with 93.4% from Birla Institute of Technology, Mesra, in 2023. Currently, she is pursuing a Master of Pharmacy (MPharm) in Pharmaceutical Chemistry at the same institution, where she has secured an impressive 92.9%. Her academic foundation is strengthened by high achievements, including 94.75% in Higher Secondary and 94.8% in Matriculation, both from St. Joseph’s Convent, Chandannagar. Throughout her education, she has consistently displayed excellence in both theoretical knowledge and practical skills, focusing on pharmaceutical sciences, organic synthesis, and medicinal chemistry.

🏢Work Experience:

Shrimanti has gained invaluable professional experience through internships and industrial training. She worked at Dr. Reddy’s Laboratories, Hyderabad, contributing to clinical trial analysis and reporting. As part of the Khorana Program for Scholars, she interned at Purdue University, USA, under IUSSTF, gaining exposure to global pharmaceutical research. Additionally, Shrimanti participated in the Molecular Biology and Biochemistry Techniques program at IIT Kharagpur and Mendine Pharmaceuticals Pvt. Ltd. She is also involved in ongoing research projects, including her MPharm thesis on novel imidazole analogues. Her hands-on expertise includes computational modeling, molecular docking, and synthetic organic chemistry.

 

🏅Awards:

Shrimanti has earned recognition for her academic and professional achievements. She won the 1st prize along with a cash prize of INR 10,000 in the Flash Talk Competition at the International Symposium on Nucleic Acids Research by NIPER Kolkata. Her excellence in Mathematics ISC 2019 earned her rank 1, while in WIZ National Spell Bee 2014-15, she secured rank 2 and was honored with a cash prize. She also achieved rank 47 in the State Level Grand Finale of WIZ National Spell Bee. These accomplishments highlight her commitment to academic excellence, public speaking, and leadership in scientific endeavors.

 

🔬Research Focus:

Shrimanti’s research primarily focuses on Medicinal Chemistry, specifically in areas like molecular docking, drug design, and pharmacology. She has worked on green synthesis of iron/iron oxide nanoparticles, novel antimicrobial agents, and molecular dynamics. Her ongoing work includes imidazole analogues with potential antimicrobial activity, and phytoconstituents docking studies targeting Parkinson’s disease. She utilizes advanced computational techniques such as HTVS, AutoDock, Schrodinger, and Desmond for structure-based drug design. Her aim is to contribute to the development of innovative pharmaceutical solutions for treating chronic diseases and improving human health.

Publication Top Notes:

  1. Fundamental approaches of drug discovery
  2.  Comparative Molecular Docking Studies of Selected Phytoconstituents on the Dopamine D3 Receptor (PDB ID: 3PBL) as Potential Anti-Parkinson’s Agents