جست‌وجوی استاد و پژوهشگر

Jeandi Marechalمشاهده پروفایل

استاد

• Metalloenzyme
• Artificial Metalloenzymes
• Cofactor Chemistry
• +۳ مورد دیگر

Jeandi Marechal is a Professor in the Department of Chemistry at the Universitat Autònoma de Barcelona (UAB), affiliated with the Institute of Biotechnology and Biomedicine (IBB) and the Computational BioNanoCat research group. He holds a Ph.D. from UAB (2002) and has extensive academic qualifications including DEA in Bioinorganic Systems and a Magistère in Physical Chemistry from prestigious institutions in France. Research Interests: Focuses on computational bioinorganic chemistry, metalloenzyme mechanisms, protein-ligand interactions, and transition metal catalysis. Key areas include drug design using metallodrugs, anti-parasitic compound discovery, and supramolecular catalyst design. His work contributes to Sustainable Development Goals related to health and innovation. Grants & Projects: Leads multiple high-impact projects such as the EU-funded CypTox (2021-2025) for safer insecticides and the FONDECYT-funded frontier catalysis initiative (2021-2025). Active in collaborative research spanning Spain, France, and international networks. Labs & Teams: Directs the Computational BioNanoCat group, specializing in combining quantum mechanics and molecular dynamics for biological systems. Collaborates with institutions like the Catalan Institute of Nanoscience and Nanotechnology (ICN2).

Maria Kurnikovaمشاهده پروفایل

استاد

• Computational Chemistry
• Biophysical Chemistry
• Molecular Modeling
• +۳ مورد دیگر

Maria Kurnikova is a Professor of Chemistry at Carnegie Mellon University (CMU), affiliated with the Mellon College of Science. She holds concurrent roles as Co-Director of the Molecular Biophysics & Structural Biology (MBSB) Graduate Program and affiliated faculty in the Joint CMU-Pittsburgh Computational Biology Program. Her research focuses on computational chemistry, molecular modeling, and theoretical biophysics, particularly in understanding protein structure-function relationships through high-performance computing and multi-scale modeling approaches. Education: M.Sc., Moscow Institute of Physics and Technology, 1984–1990 Ph.D., University of Pittsburgh, 1998 Postdoctoral Fellowships: University of Tel Aviv (1998–1999) and University of Pittsburgh/NIST (1999–2001) Research Interests: Dr. Kurnikova's work spans computational modeling of membrane proteins, ion channels, and drug design. Her group develops hierarchical models to bridge atomistic and macroscale processes, with applications in understanding ligand binding, channel gating, and ion selectivity. Current projects include: Membrane protein receptors and ion channel dynamics In silico drug design using machine learning and free energy simulations Development of accurate force fields for molecular interactions Awards: 2024 Department of Chemistry Distinguished Alumni Award (University of Pittsburgh) 2002 Research Corporation Innovation Award Collaborations & Resources: Active user of NSF/NIH supercomputing facilities (e.g., Pittsburgh Supercomputing Center) Collaborations with Olexandr Isayev’s group on drug design methodologies Labs & Teams: The Kurnikova Research Group specializes in theoretical and computational approaches to biological macromolecules, with ongoing projects in TRPM7 channel regulation, AMPA receptor allostery, and heme transfer mechanisms.

Mathias Löscheمشاهده پروفایل

استاد

• Biological Physics
• Membrane Biophysics
• Biophysics
• +۴ مورد دیگر

Mathias Lösche is a Professor of Physics at Carnegie Mellon University (CMU) and holds a courtesy appointment as Professor of Biomedical Engineering. He also previously served as a Professor at Leipzig University, Germany. His research focuses on membrane biophysics, using techniques like neutron scattering to study protein-membrane interactions. He leads the Biological Physics Supramolecular Structures Lab and collaborates with institutions like NIST and Johns Hopkins University. Lösche's work spans over 35 years, with contributions to understanding membrane-associated proteins in diseases like cancer and neurodegeneration. His recent studies include KRAS membrane configurations, HIV-1 matrix protein interactions, and amyloid oligomer toxicity. Education: M.S. in Physics from Ulm University (1983), Ph.D. in Biophysics from TU Munich (1986), and Habilitation in Physical Chemistry from Mainz University (1994). Research interests include lipid bilayer structure, protein-membrane binding kinetics, and engineered membrane systems. His lab develops neutron reflectometry methods to probe molecular-scale structures at interfaces.

Bruce Tidorمشاهده پروفایل

استاد

• Computational Biology
• Systems Biology
• Molecular Biophysics
• +۳ مورد دیگر

Bruce Tidor is a Professor of Biological Engineering and Computer Science at the Massachusetts Institute of Technology (MIT), leading the Tidor Lab. His research focuses on computational and systems biology, integrating principles from biophysics, artificial intelligence, and applied mathematics to study complex biological systems at molecular and systems levels. Research Interests: Protein and nucleic acid structure-function analysis Computational design of proteins and ligands Gene expression networks and systems biology modeling Drug resistance mechanisms and therapeutic design Lab Activities: The Tidor Lab develops methods for analyzing biomolecular interactions, parameterizing biological networks, and optimizing drug resistance strategies. Notable projects include studying calcium sensor design, oscillatory biological systems, and mechanotransduction in proteins such as FAT domains. Collaborations and Grants: Ongoing work includes MIT-Skoltech collaborations, computational re-engineering of enzymes, and modeling cytokine interactions. The lab has advised numerous PhD and master’s students in biological engineering and related fields.

Angela Wilsonمشاهده پروفایل

استاد

• Computational Chemistry
• Heavy-Element Chemistry
• Catalysis
• +۷ مورد دیگر

Angela Wilson is the John A. Hannah Distinguished Professor in the Department of Chemistry at Michigan State University (MSU). Her research focuses on computational methodologies, heavy-element chemistry, catalysis, protein modeling, drug design, and green chemistry. She previously held faculty roles at the University of Oklahoma and the University of North Texas, where she also directed the Center for Advanced Scientific Computing and Modeling (CASCaM) and served as Associate Vice Provost for Faculty. Before joining MSU, she led the NSF Chemistry Division. Dr. Wilson earned her Ph.D. from the University of Minnesota and completed postdoctoral training at Pacific Northwest National Laboratory. Her research group, the Wilson Lab, develops ab initio approaches like the correlation consistent composite approaches (ccCA) to predict thermochemical properties and study molecular interactions. Key projects include PFAS environmental impacts, pharmaceutical drug design, and quantum computing applications. The lab collaborates with industry to advance drug discovery and sustainable chemistry. Dr. Wilson’s work bridges computational and experimental disciplines, addressing challenges in energy, health, and environmental sustainability. Her computational methods have enhanced accuracy in predicting molecular properties, particularly for transition metals and heavy elements. Recent studies highlight PFAS interactions with biological systems, quantum dynamics, and green chemistry innovations. Her research has been published in high-impact journals, with a focus on advancing computational tools and understanding complex molecular systems. She actively promotes diversity and interdisciplinary collaboration in science through initiatives like IUPAC’s Distinguished Women in Chemistry program.

Nick Szirbikمشاهده پروفایل

مدرس

• Systems Engineering
• Agent-Based Serious Gaming
• Complex Systems Modelling
• +۴ مورد دیگر

Nick Szirbik is a Lecturer at the University of Groningen (RUG), Faculty of Science and Engineering, affiliated with the Engineering and Technology Institute Groningen (ENTEG). He holds a PhD in Computer Science from Politehnica University of Timisoara and has extensive postdoctoral and professional experience in agent-based systems and systems engineering. Education: Dipl. Eng. in Computer Science & Engineering (Politehnica Timisoara, 1987) PhD in Computer Science (Politehnica Timisoara, 1997), focusing on neural networks and distributed computing Postdoc at TU Eindhoven (1998-2000) in agent-based systems and enterprise modeling Research Interests: Agent-based serious gaming for infrastructure design Complex systems modeling in energy and logistics Multi-agent systems for supply networks and virtual enterprises Integration of AI techniques with industrial systems Key Projects: EU-funded projects: REWERSE, TraSer, EDGAR/GISEmarket National projects: CASIMIR (Dutch energy research) Development of simulation frameworks for supply chain and energy systems Teaching: Systems Engineering courses for MSc programs Undergraduate courses in Industrial Engineering and Management Past expertise in programming languages and neural networks Labs/Teams: Active contributor to ENTEG's systems engineering research group, focusing on interdisciplinary systems modeling and serious gaming applications.

• Nutrition
• Food Science
• Gut Microbiota
• +۷ مورد دیگر

Professor Harsharn Gill is a faculty member at RMIT University's School of Science. His research focuses on diet, health, and disease, with a particular emphasis on gut microbiota, metabolic syndrome, and functional foods. He holds a professorial rank and supervises research projects spanning nutraceuticals, probiotics, and antimicrobial therapies. **Research Interests**: Diet-health interactions, gut-immune health, probiotics, and the role of functional foods in chronic disease management. His work combines molecular docking studies, in vitro digestion modeling, and agricultural biotechnology to explore novel interventions for obesity, metabolic disorders, and microbial modulation. **Recent Articles**: Prof. Gill's 2025 studies on human milk oligosaccharides and infant formula revealed their anti-inflammatory roles, while 2024 research demonstrated biostimulant-enhanced hemp and strawberry functional properties. His 2023 work includes molecular studies on anti-obesity compounds targeting PPARγ and Y1R receptors. Grants/Advising : Supervised over 15 PhD projects on topics like dietary modifications, cheese microbiota, and herbal medicine efficacy. Labs/Teams : Collaborates with food chemistry and agricultural teams at RMIT, focusing on functional food development and nutraceutical innovation.

Irene Yarovskyمشاهده پروفایل

استاد

• Materials Modelling and Simulation
• Nanomaterials
• Biomolecular Systems
• +۳ مورد دیگر

Irene Yarovsky is a Distinguished Professor and the leader of the Materials Modelling and Simulation research group at RMIT University's School of Engineering in Melbourne, Australia. She also holds a Visiting Professor position at Imperial College London's Department of Materials. She earned her PhD in 1995 from Monash University, focusing on theoretical modelling of protein-surface interactions. Her research spans computational materials design, with applications in industrial coatings, bio-materials, and nanomaterials. She is particularly interested in nano-bio interfaces, including biomedical devices and environmental interactions. Prof. Yarovsky has published over 200 papers and secured over $40M in research funding. She is a Fellow of the Australian Academy of Science and Technology, the Royal Society (UK), and the Royal Australian Chemical Institute. Her work emphasizes theoretical simulations of material structures and properties, with a focus on biomolecular systems, industrial materials, and bio-nanotechnology applications. Her research group develops advanced materials for drug delivery, biosensors, and contamination-resistant surfaces. Collaborations include industry partners like BlueScope and academic institutions. She supervises PhD and Master’s students in areas like protein misfolding, graphene oxide interactions, and antimicrobial surface design. Her impact includes innovations in nanomaterials for biomedical and industrial applications.

Elizabeth Yurievمشاهده پروفایل

دانشیار

• Education Research
• Problem Solving
• Collaborative Learning
• +۶ مورد دیگر

Elizabeth Yuriev is an Associate Professor in the Faculty of Pharmacy and Pharmaceutical Sciences at Monash University, specializing in chemistry education and molecular modeling. She holds editorial roles at the Journal of Chemical Education and Journal of Molecular Graphics and Modelling , and is a Senior Fellow of Advance HE. Her research focuses on improving problem-solving skills, collaborative learning, and flexible assessment strategies in STEM education, while contributing to structural glycobiology and GPCR modeling in drug design. Affiliations: Associate Editor, Journal of Chemical Education (ACS Publications) Member, Chemistry Education Division Committee Editorial Board Member, Journal of Molecular Graphics and Modelling Research Interests: Combines education innovation with computational methods. Key areas include metacognitive scaffolding for problem-solving, AI integration in teaching, carbohydrate docking methodologies, and molecular dynamics simulations for GPCRs. Her work bridges pedagogical improvements and structural biology applications in drug discovery. Article Trends: Recent publications emphasize generative AI's impact on health education, metacognition in STEM problem-solving, and carbohydrate-lectin interactions. Earlier work includes computational modeling of drug targets like dopamine receptors and muscarinic acetylcholine receptors. Awards: Monash Parkville Lecturer of the Year (2005, 2015-2022) RACI Chemistry Educator of the Year (2019) Chemical Education Medal (2023) Grants & Projects: Lead investigator on projects like 'Structure-based design of anti-inflammatory compounds' and 'STEMMing Effective Study Strategies.' Collaborates widely in Australia and internationally on education innovation and glycobiology. Labs/Teams: Actively contributes to Monash's Pharmaceutical Science programs, coordinating courses in physical chemistry and computational drug design. Supervises honors students and mentors teaching associates in active learning methods.

• Enzymology
• Pharmacology
• Biochemistry
• +۴ مورد دیگر

Olayiwola Adekoya is an Associate Professor affiliated with the Clinical Institute 2 at the University of Bergen (UiB), located at Haukeland University Hospital in Bergen. His research focuses on enzymology, pharmacology, and drug design, particularly targeting metalloproteases and their inhibitors. He has contributed to studies on enzyme inhibition mechanisms, protein structure-function relationships, and the development of therapeutic agents. His work spans from fundamental biochemical studies to applied research in drug discovery, with notable contributions to understanding the thermolysin family of enzymes and their biotechnological potential. Recent studies include investigations into bisphosphonate- and catechol-based inhibitors of bacterial and human metalloproteases, as well as synthetic chalcone derivatives for anti-inflammatory applications. Adekoya's publications highlight interdisciplinary approaches, combining molecular dynamics simulations, quantum mechanical calculations, and experimental validation. His research themes emphasize protein-protein interactions, enzyme selectivity, and the design of novel inhibitors with therapeutic utility.

Rebecca Wadeمشاهده پروفایل

استاد

• Computational Biology
• Structural Biology
• Molecular Simulations
• +۴ مورد دیگر

Rebecca Wade is a Professor at the Zentrum für Molekulare Biologie (ZMBH) , Heidelberg University, and leads the Molecular and Cellular Modeling (MCM) group at the Heidelberg Institute for Theoretical Studies (HITS). She is affiliated with the DKFZ-ZMBH Alliance and the Interdisciplinary Center for Scientific Computing (IWR) . Research Interests focus on computational modeling of biomolecular interactions, particularly protein binding mechanisms, drug design, and structural biology. Techniques include molecular dynamics simulations, Brownian dynamics, and machine learning for predicting drug-target interactions. Recent Article Trends: 2021-2016 publications on drug binding kinetics, protein-ligand interactions, and surface-active protein simulations. Scientific Awards: 2004 Hansch Award (QSAR and Modelling Society) 2016 ISQBP Award in Computational Biology Her lab at HITS investigates protein interaction networks and contributes to therapeutic agent design through structural and computational approaches.

Floare Călin Gabrielمشاهده پروفایل

پژوهشگر

• Materials Science
• Computational Quantum Chemistry
• Computational Structural Biology
• +۷ مورد دیگر

Dr. Floare Călin Gabriel is a Researcher at the Department of Isotopic and Molecular Technologies within the National Research-Development Institute for Isotopic and Molecular Technologies (INCDTIM), Romania. With over 20 years of experience as a Scientific Reviewer and Key Expert in multidisciplinary projects, his work bridges theoretical and applied research in materials science, biophysics, and computational biology. Education : PhD in Physics (2005), Joseph-Fourier University, Grenoble, France MSc in Molecular Biotechnology (2016), Babeș-Bolyai University, Romania MSc in Theoretical Physics (1998), Babeș-Bolyai University, Romania Research Interests : His expertise spans computational quantum chemistry , supramolecular chemistry , high-performance computing for materials science, and molecular biotechnology . He specializes in ab initio calculations , molecular dynamics simulations , and intermolecular interaction analysis using NMR spectroscopy , isothermal titration calorimetry (ITC) , and bioassay validation . Key Projects : Molecular Aggregation Pathway Analysis (PN-III-P4-PCE-2021-0316): Investigating congenital cataract mechanisms via in silico inhibitors screening and molecular docking . Thermoelectric Materials Design (PNCDI-III-C3-2016 STAR): Developing advanced oxide/silicide materials for space applications using band structure engineering . Antimicrobial Peptide Optimization (PN-III-P1-1.1-TE-2016-0032): Combining machine learning and experimental validation for novel drug candidates. Laboratory & Collaborations : Active in the Complex Molecular and Biomolecular Systems team, collaborating with institutions like INFIM (Romanian National Institute for Materials Physics), GEOECOMAR, and Alexandru Ioan Cuza University. His work integrates theoretical modeling , nanofabrication , and industrial partnerships (e.g., Storex Technologies SRL, Sanimed International).

• Drug design
• Medicinal chemistry
• Computational chemistry
• +۵ مورد دیگر

Roger Estrada Tejedor is a Full Professor at the IQS School of Engineering , Universitat Ramon Llull , where he leads the Pharmaceutical Chemistry Group (GQF) and contributes to both the Unit of Pharmaceutical Chemistry and the Unit of Continuous Chemical Processes . His academic journey includes a PhD in Pharmaceutical Chemistry (2011) from Universitat Ramon Llull, a Master's in Applied Statistics (2013) from UNED, and a Chemical Engineering degree (2006) from IQS. Academic Leadership: Accredited as a Reader by AQU (2015), he became a Full Professor in 2020. Research Focus: Computational drug design, AI-driven pharmaceutical algorithms, and targeting pathogenic RNA structures. Scientific Contributions span dual tyrosine kinase inhibitors for pancreatic cancer, allosteric CXCR4/IRAK4 modulators for lymphoma therapy, and structural simplification strategies in hit discovery. His work bridges molecular modeling with continuous manufacturing optimization, transforming batch chemical systems into efficient, sustainable processes. Collaborative projects include the Franco-Spanish PROTEOblood network addressing proteinopathies in hematological cancers.

• Organic Chemistry
• Inorganic Chemistry
• Spectroscopy
• +۳ مورد دیگر

Murat ÇINARLI is an Associate Professor at the Vocational School of Health Services , Kırşehir Ahi Evran University , Turkey. He holds a PhD in Chemistry (2017), MSc in Chemistry (2012), and BSc in Chemistry (2010) from Ondokuz Mayıs University. PhD: Chemistry, Ondokuz Mayıs University (2012-2017) MSc: Chemistry, Ondokuz Mayıs University (2010-2012) BSc: Chemistry, Ondokuz Mayıs University (2005-2010) His research focuses on synthesis of metal complexes , bioactivity studies , and structural characterization using X-ray crystallography and spectroscopic techniques . Key projects include developing new sulfonohydrazone derivatives and investigating their interactions with DNA and biological systems. Recent publications highlight interdisciplinary work combining organic synthesis , computational chemistry , and antimicrobial applications . Notable collaborations include researchers from Ondokuz Mayıs University, Çankırı Karatekin University, and Gazi University. 11 collaborative publications with Hümeyra Batı (Ondokuz Mayıs University) 9 collaborations with Çiğdem Yüksektepe Ataol (Çankırı Karatekin University) 4 collaborations with Hatice Öğütcü (Kırşehir Ahi Evran University)

Rajeev Prabhakarمشاهده پروفایل

استاد

• Computational Chemistry
• Biochemistry
• Quantum Mechanics
• +۷ مورد دیگر

Rajeev Prabhakar is a Professor in the Department of Chemistry at the University of Miami's College of Arts and Sciences. His research focuses on computational chemistry, applying quantum mechanical methods, molecular dynamics simulations, and docking studies to investigate enzymatic and non-enzymatic reaction mechanisms, amyloidosis in Alzheimer's disease, and oxidative stress studies. His publications highlight work on redox-responsive drug delivery systems for cancer therapy, structure-activity relationships of carbon nitride dots in inhibiting Tau aggregation, catalytic promiscuity of binuclear metallohydrolases, design of artificial metalloenzymes for organophosphate remediation, and computational analysis of PET plastic degradation mechanisms. Keywords span Pharmacology, Neuroscience, Environmental Chemistry, and Computational Methods. Scientific awards or honors are not explicitly mentioned in the provided text.