Professor Thierry Langer is a Full Professor of Pharmaceutical Chemistry at the University of Vienna’s Faculty of Life Sciences (Department of Pharmaceutical Sciences). He leads research in computational drug design, with a focus on pharmacophore modeling, 3D-QSAR analysis, and AI-driven molecular design. His work bridges theoretical and experimental chemistry, addressing targets like viral proteases (e.g., SARS-CoV-2), GABA receptors, and dopamine transporters. Research interests include: Pharmacophore-guided drug discovery for anti-viral and CNS therapies Development of next-generation computational tools (e.g., PharmacoMatch, QPhAR) Protein-ligand interaction modeling using neural networks and graph-based algorithms Recent studies focus on: Inhibitors for herpesvirus nuclear egress complexes, AI-optimized antivirals, and dopamine transporter inhibitors for cognitive enhancement. His lab collaborates on projects like the NeuroDeRisk initiative to de-risk neurotoxic compounds. Publications emphasize drug repurposing, metabolic pathway analysis, and scalable synthesis methods for promising drug candidates.
William Balch, PhD, is a Professor in the Department of Molecular and Cellular Biology at Scripps Research. His research focuses on linking genetic variation in human populations to protein function using machine learning tools like Gaussian Process (GP) modeling. He pioneered concepts in proteostasis and spatial covariance, exploring how genetic and environmental factors influence protein folding and disease. Education: Ph.D. in Microbiology from University of Illinois (1979) Research interests include inherited diseases (e.g., CFTR, AATD, NPC1), aging-related proteostasis collapse, and host-pathogen interactions in SARS-CoV-2. His lab develops computational platforms to model protein design and discover therapeutic interventions. Key projects involve GP-based analysis of genetic diversity, small molecule therapeutics targeting chaperone systems, and understanding viral evolution via spatial covariance. His work bridges genomics and phenomics to address disease mechanisms at atomic resolution. Grants and collaborations focus on protein-folding correction, with applications in precision medicine and climate change mitigation through RuBisCo optimization in plants.
Ram Samudrala is a Professor and Chief of the Division of Bioinformatics at the University at Buffalo Jacobs School of Medicine and Biomedical Sciences . His research focuses on multiscale computational biology , integrating protein structure prediction , drug discovery , and translational science to address medical challenges. He leads the development of the CANDO platform for therapeutic drug discovery and co-directs the Informatics Core at the Clinical and Translational Sciences Institute. PhD in Computational Biology (University of Maryland, 1997) BA in Computing Science and Genetics (Ohio Wesleyan University, 1993) Postdoctoral Fellowship in Protein Folding (Stanford University, 1997-2001) His work spans structural biology , genomics , and computational drug design , with applications in dentistry , infectious diseases , and cancer . He has received prestigious awards including the NIH Director's Pioneer Award (2010) and multiple Wiki Science Prizes . Samudrala's group collaborates globally, emphasizing in silico methods followed by in vitro and in vivo validation. Key grants include $1.22M NIH NCATS ASPIRE Reduction-to-Practice Award and $4.5M NIH/NLM BRIGHT Training Grant . 2023 Finalist, Clinical and Translational Sciences Institute Clinical Research Achievement Awards 2016 MacArthur Foundation 100&Change Top 50 2008 Alberta Heritage Foundation Visiting Scientist Award 2005 NSF CAREER Award He directs the BRIGHT Short-Term Training Program and serves on multiple editorial boards and review panels. Samudrala's group maintains a Protinfo web server for structural predictions and the Bioverse framework for systems-level analyses.
Fabio Zanini is an Associate Professor at the University of New South Wales (UNSW) , leading a research group focused on computational biology , single-cell approaches , and transcriptomic analysis across diseases like severe dengue , neonatal lung disease , cancer , and marine biology . He previously conducted postdoctoral research at Stanford University (2016-2019) and earned a PhD in Bioinformatics from the Max Planck Institute for Developmental Biology and the University of Tuebingen (2015). Current Affiliation: Group leader, UNSW Previous Training: Postdoc (Stanford), PhD (Max Planck/University of Tuebingen) His research spans single-cell RNA sequencing , computational virology , developmental cell biology , and bioinformatics tool development , with recent work on: Severe dengue progression (viral-host interactions, immune signatures) Lung development (endothelial cell diversity, hyperoxia-induced injury) Cancer genomics (mutant HSC clones, AZA therapy response) Marine biology (plankton transcriptomics, evolutionary analysis) Bioinformatics (HTSeq 2.0, northstar algorithm) Recent scientific awards include grants from the Chan Zuckerberg Initiative ($270,000), NIH R01 (multiple), ARC Discovery Grant , and NHMRC Ideas Grant . Notable contributions include: Northstar - Cell classification algorithm SpectralSeq - Hyperspectral-transcriptomic integration Tabula Muris - Mouse aging atlas He has supervised research into hematopoietic stem cell regulation , lung vascular development , and autophagy in viral infections , with collaborations across Stanford , University of Sydney , and Harvard .
Olga G. Troyanskaya is a Professor of Computer Science and the Lewis-Sigler Institute for Integrative Genomics at Princeton University. She serves as Deputy Director for Genomics at the Simons Center for Data Analysis, Simons Foundation, NYC. Her research focuses on computational biology, integrating diverse high-throughput genomic datasets to model molecular pathways in health and disease. Professor of Computer Science and Lewis-Sigler Institute for Integrative Genomics Deputy Director for Genomics, Simons Center for Data Analysis Research Interests: Troyanskaya’s work addresses challenges in bioinformatics, including algorithm development for gene expression analysis, regulatory network modeling, and disease mechanism interpretation. She combines computational methods with experimental validation using S. cerevisiae as a model organism. Scientific Trends: Recent publications emphasize single-cell multiomics, deep learning for transcriptional regulation, cancer immunotherapy design, and epigenomic analysis of immune responses. Key themes include computational modeling of genetic networks, disease-specific pathway analysis, and high-resolution omics frameworks. Collaborative roles in autism, Alzheimer’s, kidney disease, and cancer research Developed tools like HumanBase for data-driven predictions
Prof. Kwang W. Oh is a tenured Professor at the Department of Electrical Engineering and Department of Biomedical Engineering within the School of Engineering and Applied Sciences at University at Buffalo (SUNY at Buffalo) . He serves as the Director of Graduate Studies in Electrical Engineering and Director of SMALL (Sensors and MicroActuators Learning Lab) . His academic journey includes PhD and MS in Electrical and Computer Engineering from University of Cincinnati (2001, 1997) and BS in Physics from Chonbuk National University (1995). Prof. Oh's research expertise lies at the intersection of microfluidics , BioMEMS , and lab-on-a-chip technologies. His lab has pioneered vacuum-driven microfluidic devices , PDMS-based systems , droplet manipulation , and chemical-free fabrication techniques . His work enables point-of-care diagnostics , single cell analysis , and wearable medical sensors , with significant contributions to sample-to-answer nanosystems and world-to-chip interfacing . The scientific awards section highlights his excellence in teaching and research: SUNY Chancellor's Award for Excellence in Teaching (2020) Meyerson Award for Undergraduate Teaching (2019) Qualcomm Faculty Award (2019) Senior Teacher of the Year (2017) Royal Society of Chemistry's Emerging Investigators (2013) Samsung Electronics' CEO Honor (2003) His lab has produced numerous PhD and MS students including Dr. Anyang Wang (2020), Dr. Nikhila Nyayapathi (2020), Mr. Liam Christie (2021), and Dr. Domin Koh (2019). As a conference chair , he has organized symposia at NanoTech (2012-2026) and served as editorial board member for Sensors , Micromachines , and Biomedical Engineering Letters .
Dr. Naveen K. Vaidya is a full Professor at San Diego State University (SDSU) in the Department of Mathematics and Statistics . He received his PhD and M.Sc. in Applied Mathematics from York University, Canada , and M.Sc., B.Sc., and B.Ed. from Tribhuvan University, Nepal . His postdoctoral research was conducted at Los Alamos National Laboratory and Western University, Canada . Research Interests : Dr. Vaidya specializes in applied mathematics and mathematical biology , focusing on modeling infectious diseases such as HIV, SARS-CoV-2, dengue, malaria, and tuberculosis. His work spans within-host and between-host dynamics, integrating differential equations , dynamical systems , optimal control , and biostatistics . Recent projects explore climate impacts on disease spread and machine learning in public health analytics. Scientific Awards : He has received prestigious honors, including the University of Missouri Faculty Scholars (2015/2016) Susan Mann Dissertation Award (2008) NSERC Visiting Fellowships in Canadian Government Laboratories (2008/2009) Travel Support Awards from NSF and MBI (2018) Simons Foundation Collaboration Grant (2020, declined due to NSF grants) Grants and Funding : Dr. Vaidya has secured multiple grants from the National Science Foundation (2016–2021; 2020–2023), Simons Foundation , International Mathematical Union , and SDSU Start-up Funds . He also organized the AMNS-2019 conference in Nepal and led workshops on collaborative research. Labs and Teams : As principal investigator of the SDSU-DiMoLab , he leads a multidisciplinary team studying COVID-19 , HIV , and other infectious diseases. The lab trains graduate and undergraduate students and collaborates internationally, particularly with Tribhuvan University, Nepal .
Christopher Rycroft is a Professor and Associate Chair in the Department of Mathematics at the University of Wisconsin–Madison. He leads the Rycroft Group, which focuses on mathematical modeling and scientific computation for interdisciplinary applications in science and engineering. Prior to joining UW-Madison in summer 2022, he was a professor at Harvard University's School of Engineering and Applied Sciences from 2014-2022, and before that a Morrey Assistant Professor at UC Berkeley from 2010-2013. Professor Rycroft's research spans three main areas: numerical methods for material mechanics, data-driven discovery, and computational geometry. His group develops new computational methods while working directly with domain scientists. Key achievements include the development of the reference map technique for fluid-structure interaction, Voro++ software library for Voronoi tessellation, and novel approaches to understanding crumpling physics. His work combines traditional analysis and modeling with machine learning methods to extract scientific insights from complex data. The Rycroft Group's publication record demonstrates a strong trajectory of interdisciplinary research bridging mathematics, physics, materials science, and biology. Recent work has focused on fluid-structure interaction, computational geometry applications, mechanical metamaterials, and biological fluid dynamics. The group develops both theoretical frameworks and practical software tools that have found applications across diverse scientific domains from materials science to virology. Everett Mendelsohn Award for Excellence in Mentorship (2021) Professor Rycroft has advised numerous PhD and master's students who have gone on to postdoctoral positions at institutions including MIT, EPFL, and Cornell. His teaching includes advanced scientific computing courses that have quadrupled in enrollment during his tenure. He has secured research funding supporting his group's work on computational methods and interdisciplinary applications. The Rycroft Group consists of graduate students, postdocs, and collaborators with diverse backgrounds in applied mathematics, physics, engineering, and computer science. The group maintains active collaborations with researchers across multiple institutions and participates in centers such as the Harvard Quantitative Biology Initiative.
Prof. Enkelejda Miho is a Professor of Digital Life Sciences at the School of Life Sciences, FHNW, leading the aiHealthLab. Her work bridges computer science/AI with life sciences, focusing on drug discovery, personalized medicine, and immunology. She holds roles as Team Leader at aiHealthLab and Group Leader at the Swiss Bioinformatics Institute. Research Interests : She applies machine learning to analyze immune repertoires, antibody engineering, and autoimmunity diagnostics. Her lab develops computational tools like the RWD-Cockpit for real-world data analysis and synthetic antibody-antigen models (Absolut!) to advance biotherapeutics. Her work on dengue immunity and monoclonal gammopathies highlights translational applications. Key Projects : The aiHealthLab focuses on AI-driven diagnostics and therapeutics. Her contributions include AI frameworks for antibody specificity prediction, age-related immune repertoire changes, and large-scale network analysis of antibody repertoires. Labs/Teams : Leads aiHealthLab and collaborates with the Swiss Bioinformatics Institute, integrating computational and experimental immunology.
Olga Vitek is a Professor at Northeastern University's Khoury College of Computer Sciences, with affiliated faculty status in the Department of Chemistry and Chemical Biology. Her research bridges statistical science and machine learning with mass spectrometry-based proteomics and systems biology, focusing on developing open-source software tools like MSstats and Cardinal for quantitative proteomic analyses and imaging. Education: PhD in Statistics (Purdue University), Postdoc at the Ruedi Aebersold Lab (Institute for Systems Biology) Leadership: Director of the Barnett Institute for Chemical and Biological Analysis Her work emphasizes: Statistical experimental design Signal detection in complex mass spectrometry data Causal inference in biomolecular networks Reproducible computational infrastructure Recent publications highlight advancements in quantitative proteomics , mass spectrometry imaging , and causal modeling , with applications spanning cancer research, immunology, and clinical diagnostics. Notable trends include deep learning integration for image analysis and open-source tool development for scalable, transparent workflows. Scientific accolades: Elected Fellow of the American Statistical Association 2021 Gilbert S. Omenn Computational Proteomics Award NSF CAREER award Chan-Zuckerberg Essential Open-source Software award Senior Member, International Society for Computational Biology
John Straub is a Professor of Chemistry at Boston University, affiliated with the Chemistry Department. His research focuses on theoretical and computational studies of protein dynamics, thermodynamics, and phase transitions in molecular systems. He leads efforts to develop advanced algorithms for simulating phase changes in complex systems, including work supported by a National Science Foundation (NSF) grant (CH-1114676) to improve computational methods for phase transition modeling. His group has pioneered generalized simulated tempering and replica exchange algorithms, enabling more accurate simulations of phenomena like vapor-liquid phase changes and peptide aggregation. Dr. Straub also engages in science outreach through collaborations with the Pinhead Institute, supporting K-12 education programs and student internships. His research spans diverse topics such as cholesterol interactions in lipid membranes, amyloid fibril formation mechanisms, and the structural basis of protein aggregation in neurodegenerative diseases. His computational methods have been applied to study membrane proteins, lipid rafts, and the role of environmental factors in protein behavior. Key contributions include modeling amyloid-β aggregation pathways and investigating the impact of membrane composition on protein stability.
Zhandong Liu is an Associate Professor at Baylor College of Medicine with joint appointments in the Department of Pediatrics and Department of Neurology . He serves as Chief of Computational Sciences at Texas Children's Hospital and co-directs the Quantitative & Computational Biosciences Graduate Program at Baylor. Education: B.S. in Computer Science, Nankai University (2001) M.S. in Computer Science, Wayne State University (2003) Ph.D. in Genomics and Computational Biology, University of Pennsylvania (2010) Dr. Liu's research integrates genomics , machine learning , and bioinformatics to advance understanding of neurological diseases. His work focuses on: Multi-omics data integration for disease mechanism discovery Development of cloud-based CRISPR analysis tools like CRISPRcloud Augmented reality platforms for biomedical data visualization Identification of disease genes through computational models Alternative splicing analysis in cancer and neurodegeneration Single-cell and spatial transcriptomics algorithms His recent publications emphasize Alzheimer's disease , MECP2 syndromes , and computational therapy prediction across multiple domains. Scientific awards include the 2018 Outstanding Service Award from the International Association for Intelligent Biology and Medicine. He has secured major grants from NIH, CPRIT, and NSF for projects including: NSF grant #199977 (2018-2020): Augmented reality therapy platforms CPRIT grant #RP170387 (2016-2019): Network-guided cancer analysis NIH #1R01AG057339 (2017-2022): Alzheimer's disease networks As head of the Liu Lab , he leads teams developing tools like: MARRVEL : Human-model organism gene variant integration CRISPRcloud : Secure CRISPR screen analysis platform CrypSplice : Cryptic splicing detection algorithm
Pixu Shi is an Assistant Professor in the Department of Biostatistics and Bioinformatics at Duke University's School of Medicine. Previously, they served as a Visiting Assistant Professor in the Department of Statistics at the University of Wisconsin-Madison (2018-2020) and as a Postdoctoral Researcher in the Department of Biostatistics at the University of Wisconsin-Madison (2016-2018). Dr. Shi earned their PhD in Biostatistics from the University of Pennsylvania in 2016 under advisor Hongzhe Li. They also hold an MS in Biostatistics from the University of Pennsylvania (2015), an MS in Statistics from Rutgers University (2012), and a BS in Statistics from Peking University (2010). Dr. Shi's research focuses on developing statistical methods for Microbiome Research, Longitudinal/Temporal Omic Data analysis, Integration of Omic Data, Spatial Omics, and High-dimensional Statistical Inference. Their work bridges statistical theory with practical applications in biomedical research, particularly in microbiome studies where they've made significant contributions with the TEMPTED (TEMPoral TEnsor Decomposition) method. The article trends show a strong focus on microbiome analysis, statistical methodology development, and applications in obesity, infectious disease, and cancer research. Their most recent work (2024-2025) demonstrates expertise in tensor decomposition methods, longitudinal data analysis, and integrating microbiome data with clinical outcomes across diverse areas including adolescent obesity, viral infections, and cancer metastases. Dr. Shi has secured multiple substantial research grants from major institutions including the National Institutes of Health (NIMH, NIAID, NCI, NIDDK, NIA), totaling over a decade of continuous funding for projects related to microbiome research, HIV/AIDS, cancer biomarkers, and metabolic studies. They actively contribute to education through teaching courses such as BIOSTAT 905: Linear Models and Inference at Duke University and previously taught statistics courses at the University of Wisconsin-Madison. Dr. Shi has also organized specialized workshop series including Quantitative Methods for HIV/AIDS, Microbiome, Immunology, and Cancer Bioinformatics.
Ramy Arnaout, MD, DPhil , is an Associate Professor of Pathology at Beth Israel Deaconess Medical Center (BIDMC) and Harvard Medical School (HMS) , where he also holds affiliations with the Department of Systems Biology and Division of Clinical Informatics . As director of the Arnaout Laboratory for Immunomics and Informatics , he leads research at the intersection of systems immunology , machine learning , and clinical pathology . Education: SB in Mathematics, MIT DPhil in Biochemistry, Oxford University (Marshall Scholarship) MD, Harvard Medical School (Soros Fellow) Research Interests focus on decoding adaptive immunity through high-throughput sequencing of antibody and T-cell receptor repertoires, applying information theory and network analysis to understand immune dynamics in aging, cancer, and infections. His systems medicine work leverages real-world hospital data to optimize diagnostics and therapeutic strategies. Scientific Awards include the Reagan-Udall Foundation Grant for accelerating COVID-19 test approval, the Gordon and Betty Moore Foundation Award for BIDMC-UCSF collaboration, and prestigious fellowships like the Marshall Scholarship and Soros Fellowship . Advising & Grants highlight mentorship of computational biologists and a lab supported by NIH, American Heart Association, Massachusetts Life Sciences Center, and industry partners. His team has developed 3D-printed swabs and machine learning frameworks for immune repertoire analysis during the pandemic. Lab Structure includes 5–10 members spanning immunologists, computer scientists, and physicians. Collaborations extend to Dr. Rima Arnaout (UCSF), Dr. James Kirby (BIDMC), and institutions like Duke AI Health and Kapa Biosciences.
Magnus A. Rueping is a highly distinguished Professor of Chemistry at King Abdullah University of Science and Technology (KAUST) in Thuwal, Saudi Arabia. With an impressive h-index of 107 and over 35,502 citations from 430 documents, he stands as a leading figure in modern synthetic chemistry. His research group maintains active collaborations with 651 co-authors worldwide, reflecting his significant impact on the chemical sciences community. Professor Rueping's research spans multiple cutting-edge areas in organic chemistry and catalysis. His work primarily focuses on developing novel sustainable methodologies including photoredox catalysis, electrochemical synthesis, and mechanochemistry. He has made significant contributions to the fields of $$\text{C-H}$$ functionalization, late-stage modification of complex molecules, and sustainable chemical transformations. His research group explores the intersection of traditional organic synthesis with emerging technologies to create more efficient and environmentally friendly chemical processes, with particular emphasis on nickel catalysis and metal-organic frameworks. Analysis of Professor Rueping's recent publications (2023-2025) reveals a strong trend toward integrating multiple activation modes in single catalytic systems. His work increasingly combines photochemistry, electrochemistry, and mechanochemistry (particularly resonant acoustic mixing) to develop novel catalytic platforms that minimize waste and energy consumption. A notable research direction involves the application of copper nanoclusters and cerium-based metal-organic frameworks as heterogeneous photocatalysts for challenging organic transformations. His group has also pioneered methods for $$\text{C-Ge}$$ and $$\text{C-S}$$ bond formation with exceptional selectivity. Professor Rueping's research has attracted substantial funding and recognition, as evidenced by his high citation metrics and publication record in top-tier journals including Nature Communications, Journal of the American Chemical Society, and Angewandte Chemie. His work bridges fundamental chemical research with practical applications in pharmaceutical development and sustainable manufacturing. As a dedicated mentor, Professor Rueping has supervised numerous graduate students and postdoctoral researchers who contribute to his diverse research portfolio. His laboratory operates state-of-the-art facilities for advanced organic synthesis, photochemistry, electrochemistry, and materials characterization. Current research directions include developing new methodologies for late-stage functionalization of pharmaceutical compounds, creating sustainable approaches to chemical manufacturing, and engineering novel catalytic materials for energy applications. His group's recent expansion into diagnostic technologies (nanobody-based lateral flow assays) demonstrates the versatility and interdisciplinary nature of his research program.
