Gromacs
Antonio Laus
Fellow Researcher
Modena
Summary
Diligent researcher with six years of experience in analytical and computational chemistry, skilled in multitasking, communication, and problem-solving. Demonstrated proficiency in maintaining laboratory equipment and spaces according to regulatory guidelines. An enthusiastic supporter of drug discovery advancements, with a strong passion for expanding knowledge to foster growth and necessary improvements. Organized and dependable, adept at managing multiple priorities with a positive attitude and willing to take on additional responsibilities to achieve team goals.
Overview
6
6
years of professional experience
2
2
Languages
Work History
Research Scientist
University Of Modena & Reggio-Emilia
Modena
04.2023 - Current
- Designed and developed new multitarget anticancer molecules, leveraging advanced computational techniques for potent and targeted therapeutic effects. Conducted detailed studies involving docking, molecular mechanics, and quantum mechanics utilizing Schrodinger Suite and OpenEye, enhancing molecule design efficiency.
- Implemented molecular dynamics simulations and analysis with Desmond, Amber, and Gromacs, leading to significant insights into dynamic molecular behavior. Utilized advanced dynamic sampling techniques, including classical and on-the-fly probability-based methods, to optimize simulation accuracy and computational resource allocation.
- Deepened study of AI-driven binding/unbinding processes using Gromacs, Plumed and PyTorch, leading to significant results in drug-target interactions.
- Developed artificial neural networks with PyTorch, introducing complex, multidimensional collective variables to drive and analyze protein-ligand complexes, improving prediction accuracy and research throughput.
- Achieved hyperparameters optimization of artificial neural networks using Optuna, enhancing model performance and predictive reliability.
- Produced high-impact images and videos with Schrodinger Suite, VMD, and Blender, improving data visualization and stakeholder engagement.
- Prepared and delivered compelling presentations for international meetings and conferences, effectively communicating complex scientific concepts and fostering collaborative opportunities. Contributed organization and execution of scientific events and workshops, facilitating knowledge exchange and networking among researchers.
Project Associate
University Of Cagliari
Caglairi
01.2020 - 04.2023
- Analyzed mechanisms of action of NPS (novel psychoactive substances).
- Docking studies, molecular mechanics and quantum mechanics through Schrodinger Suite software.
- Molecular dynamics simulations and Analysis using Desmond.
- Production of images and videos with high visual impact using Schrodinger Suite.
- Preparing engaging presentations for meetings and conferences. Collaborating in preparation and organization of scientific events and workshops.
- Maintained detailed documentation of all project phases, ensuring accurate record-keeping and easy retrieval of information when needed.
- Strengthened team dynamics through regular feedback sessions, resulting in increased productivity and improved performance.
- Cultivated strong working relationships with clients by providing responsive support and expert guidance throughout each project stage.
- Developed comprehensive project plans that outlined key objectives, milestones, and resource allocation for timely completion.
Research Fellow
University Of Cagliari
Cagliari
08.2022 - 03.2023
- Analyzed mechanisms of action of NPS (novel psychoactive substances)
- Docking studies, molecular mechanics and quantum mechanics through Schrodinger Suite software.
- Molecular dynamics simulations and Analysis using Desmond.
- Advanced dynamic sampling techniques using Desmond.
- Production of images and videos with high visual impact using Schrodinger Suite.
- Preparing engaging presentations for meetings and conferences.
- Collaborated in organizing scientific events and workshops.
High School Chemistry Teacher
I.I.S. "Buccari-Marconi' Cagliari
Cagliari
09.2021 - 07.2022
- Implemented behavior modification strategies, resulting in improved self-regulation and classroom participation among students.
- Increased student interest in science careers through guest speakers, field trips, and hands-on experiments.
- Collaborated with colleagues to develop interdisciplinary units that connected chemistry concepts to other subjects.
- Enhanced student comprehension by incorporating visuals and real-world examples into lesson plans.
- Ensured laboratory safety by conducting regular inspections of equipment and enforcing proper handling procedures for chemicals and materials.
- Implemented inquiry-based learning activities encouraging critical thinking skills and fostering deeper understanding of chemistry concepts.
- Promoted positive learning environment by establishing clear expectations, setting goals, and providing constructive feedback.
- Evaluated student progress regularly through formative assessments, adjusting instructional strategies as needed to improve understanding.
- Continually updated knowledge of scientific advancements through ongoing professional development opportunities, ensuring relevant content was incorporated into curriculum.
Research Fellow
University Of Cagliari
Cagliari
01.2021 - 07.2021
- Analyzed mechanisms of action of NPS (novel psychoactive substances)
- Docking studies, molecular mechanics and quantum mechanics through Schrodinger Suite software.
- Molecular dynamics simulations and Analysis using Desmond.
- Advanced dynamic sampling techniques using Desmond.
- Production of images and videos with high visual impact using Schrodinger Suite.
- Preparing engaging presentations for meetings and conferences. Collaborated in preparation and organization of scientific events and workshops.
Science Teacher
Liceo Artistico E Musicale 'Foiso Fois'
Cagliari
05.2021 - 06.2021
- Enhanced learning experiences by incorporating specialized tools and resources tailored to needs of special education students.
- Developed and implemented assessment tools to track student progress, identifying areas of improvement and adjusting instruction accordingly.
- Improved student comprehension by employing diverse teaching strategies and adapting lesson plans to meet individual needs.
- Supported students in developing social skills through structured activities and positive reinforcement techniques.
- Implemented inquiry-based learning techniques in classroom, promoting curiosity and active engagement among students.
- Maintained consistent communication with parents regarding student performance, collaborating on strategies to support academic success at home.
Research Fellow
University Of Cagliari
Caglairi
07.2019 - 12.2020
- Developed LC-QTOF-MS method for characterization of sheep milk samples and peptide derivatives.
- Leveraged analytical tools such as HPLC, GC-MS, UV/Vis spectroscopy for precise characterization of pharmaceutical compounds.
- Managed research projects within budget constraints while maintaining high-quality output and timely completion.
- Improved laboratory safety by regularly reviewing procedures, updating guidelines, and training staff on best practices.
- Enhanced research quality by implementing rigorous methodologies and data analysis techniques.
Pharmacist
Parafarmacia Podda
Monserrato
07.2018 - 07.2019
- Optimized drug therapy for patients by closely monitoring lab results, vital signs, and clinical response to medications.
- Reduced medication errors within pharmacy by developing and implementing continuous quality improvement program.
- Enhanced pharmacy efficiency by implementing new workflow processes and inventory management systems.
- Implemented medication therapy management programs, resulting in improved patient adherence to prescribed medications.
Pharmaceutical Technologist
ToxMed
Pula
05.2019 - 06.2019
- Implemented quality control measures to maintain high standards of purity and consistency in pharmaceutical products.
- Conducted thorough research on new pharmaceutical ingredients, ensuring safety and efficacy in product development.
- Spearheaded continuous improvement initiatives to reduce costs and enhance overall efficiency in workplace.
- Drafted detailed technical reports on research findings, contributing to greater knowledge sharing within organization.
- Leveraged analytical tools such as HPLC, GC-MS, UV/Vis spectroscopy for precise characterization of pharmaceutical compounds.
- Enhanced drug effectiveness by optimizing pharmaceutical formulation techniques.
- Developed innovative drug delivery systems to improve patient compliance and therapeutic outcomes.
Education
Master of Science - Pharmaceutical Sciences
Università 'Gabriele D'Annunzio' Chieti-Pescara
Chieti, Italy 04.2001 -
Skills
Programming Languages
Experiment Design
Data Analysis
Computational modeling
Paper writing
Image analysis
Machine Learning
Drug Discovery
Neural Networks
Advanced Research Techniques
Problem-Solving
Interpersonal Communication
Chemical Analysis
Multitasking
Team Collaboration
Adaptability
Software
Plumed
Schrodinger Suite
Amber
OpenEye
Interests
Sport
Motorbike
Timeline
Research Scientist
University Of Modena & Reggio-Emilia
04.2023 - Current
Research Fellow
University Of Cagliari
08.2022 - 03.2023
High School Chemistry Teacher
I.I.S. "Buccari-Marconi' Cagliari
09.2021 - 07.2022
Science Teacher
Liceo Artistico E Musicale 'Foiso Fois'
05.2021 - 06.2021
Research Fellow
University Of Cagliari
01.2021 - 07.2021
Project Associate
University Of Cagliari
01.2020 - 04.2023
Research Fellow
University Of Cagliari
07.2019 - 12.2020
Pharmaceutical Technologist
ToxMed
05.2019 - 06.2019
Pharmacist
Parafarmacia Podda
07.2018 - 07.2019
Master of Science - Pharmaceutical Sciences
Università 'Gabriele D'Annunzio' Chieti-Pescara
04.2001 -