Current members
Stefano Forli, Ph.D.
Associate Professor
0000-0002-5964-7111
Diogo Santos-Martins, Ph.D.
Staff Scientist
Computational chemist working on the development of force fields and search algorithms for molecular docking to make it more accurate and faster. PhD degree from University of Porto, where he used molecular dynamics, docking and quantum mechanics to study enzymatic mechanisms and molecular recognition in biological contexts.
Writes papers in Vim. Tolerates pineapple on pizza.
Andreas Tillack, Ph. D.
Research Programmer
Statistical Mechanician and Quantum Theoretician with a life-long passion for code development that happens to like organic systems. Diplom-Physics degree from Humboldt-University Berlin (where he built a flow cytometer using a DVD burner), Chemistry PhD from UW, Seattle (where he discovered design rules for organic non-linear optical chromophores by developing an ellipsoidal coarse-grained force field), Post-doc at ORNL speeding up Quantum Monte-Carlo on Summit. He is developing the new generation of AutoDock.
Machine whisperer, mumbles in assembly. The Scotty of our Enterprise. “But captain, I’m givin’ ya all she’s got!“
Matthew Holcomb, Ph.D.
Staff Scientist
Once a graduate student at Scripps Research, he converted from wetlab chemistry to in silico chemistry. Previously worked in the Romesberg Lab on IR spectroscopy in proteins before joining the Forli Lab and dedicating his efforts to the development of libraries of covalent and non-covalent inhibitors.
An organic chemist in a previous life, then saw the Light. Strongly defends the mixing of mint and chocolate.
Chris Garza
Grad Student (UCSD MD-PhD program)
Third year MD-PhD student studying viral biophysics with Drs. Forli and Torbett at Scripps. Background in molecular dynamics simulation. Their current project aims to study the process of viral maturation and delivery of genetic information to the host cell.
No matter how big of a problem you throw their way, they will climb it. Has offensive taste in chocolate.
Batuujin Burendei
Grad Student (shared with the Ward Lab)
International graduate student from Mongolia studying structural biology at TSRI. Background in bioscience and cryo-electron microscopy of membrane proteins. While a self-proclaimed “noob” in the ways of computational biology, he is excited to be learning more about research involving molecular docking and virtual screening in the Forli lab.
Loves pineapple on pizza.
Althea Hansel-Harris
Grad Student (UCSD MD-PhD program)
MD-PhD student studying virtual screening of small molecule inhibitors for applications in cancer. After previously working in both wet-lab cancer biology and anisotropic force field development, she now combines the fields of computational chemistry and cancer biology in the Forli lab.
Strong believer in milk chocolate. Wishes that more Eagles games were broadcast in San Diego.
Niccoló Bruciaferri
Grad Student
International graduate student from Italy studying new methodologies to improve molecular docking, combining Machine Learning techniques and classical MM/QM calculations. Former bioinformatician with a strong passion for software development and Structural Biology.
Paolo Governa, Ph.D.
Post-doc
Pharmaceutical chemist with background in natural products. He is involved in the identification and development of active compounds through in silico structure- and ligand-based virtual screening. Loves heavy metal and stylish Vim color schemes. No pineapple on pizza.
Hung Phan, Ph.D. Materials Chemistry, University of California Santa Barbara
Visiting Professor, Soka University of America
Ph.D. Materials Chemistry, University of California Santa Barbara
A scientist and educator bridging the fields of chemistry and computing. His current explorations focus on chemical bonding and ligand-protein interactions using quantum chemistry, molecular docking, molecular dynamics, and machine learning.
Loves pineapple on pizza.
Manuel Llanos, Ph.D.
Post-doc
He obtained his Ph.D. at the National University of La Plata (Argentina), where he combined ligand- and structure-based techniques to find modulators of ion channels and other targets related to epilepsy and neglected diseases. In the lab, he runs mate-fueled MD simulations for drug discovery projects on his MATE-powered workstation.
Likes electronic music and pineapples on cocktails (and mate).
Parnika Sharma
Research Programmer III
A software developer with an appreciation for chemistry, she is excited to be working with scientists again to develop tools and user interfaces the Forli lab. She has experience working with ML models, XR development, and game development.Loves the performing arts, tea, and chocolate of all kinds.
May-Linn Paulsen, Ph.D.
Scientific Associate
Chemical engineer (University of Stavanger, Norway) and oceanographer (Scripps Institution of Oceanography, UCSD), who left physical and analytical chemistry behind to spend more time behind computer monitors. Enjoys automating and abstracting scientific tasks, and making science and software more accessible and user-friendly.A yarn conservative but a pizza-topping liberal.
Johannes Löffler
Post-doc (shared with the Ward lab)
Computational chemist from Austria working on understanding the role of solvation in drug design and molecular recognition. Graduated from the University of Innsbruck where he developed approaches to quantify binding free energies of small molecules and protein-protein interfaces.
Life motto: No coffee no workee!
Allison Barkdull
Graduate Student
Allison is developing and applying methods to discover molecules which bind to membrane proteins. She received her bachelor’s degree in biomedical engineering from the University of Florida. Allison loves to study proteins embedded in membranes, when she’s not embedded herself in the ocean.
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Past members
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Giulia Bianco, Ph.D.
Post-doc
She did her PhD in Cagliari, where she mainly focused on structure-based approaches on pharmaceutical relevant targets. She is part of the HIVE center, where she aims at finding potential inhibitors of the viral assembly of HIV-1. She is also involved in the development of new covalent docking methods with the Software AutoDock.
If it’s covalent, she knows about it. Very patient with pineapple.
Jérome Eberhardt, Ph.D.
Post-doc
Master of waterbending, involved in the development of a new desolvation model for the AutoDock docking software. He obtained his PhD diploma at the University of Strasbourg (France), where he worked on nuclear receptors and the interpretation of experimental data (Hydrogen/Deuterium eXchange, NMR) using enhanced molecular dynamic simulation methods. His motto: “With the right tool every wall can be a door“.
Despite his leader’s disapproval, he is also a fervent supporter of the carbonara sauce with cream (can kill a carbonara in 19 more ways).
Francesca Alessandra Ambrosio
Visiting Ph.D. student
University Magna Graecia of Catanzaro, Italy
Current position: Ph.D. student
Juan Pablo Arcon, Ph.D. Biological Chemistry
Visiting Post-doctoral researcher
University of Buenos Aires, Argentina
Current position: Postdoctoral researcher at IRB Barcelona, Spain
Leonardo Solis Vasquez
Visiting Ph.D. student
Technische Universität Darmstadt, Germany
Current position: Ph.D. student
Giuseppe Marchetti
Visiting Ph.D. student
University of Sassari, Italy
Current position: Ph.D. student
Marco Michele Mosca
Visiting master student
University of Bologna, Italy
Current position: Ph.D. student,
Computer Science for the Materials Innovation Factory, University of Liverpool, UK