Current members

Stefano Forli, Ph.D.

Assistant Professor
M.S. Università degli Studi di Siena (2002) Medicinal Chemistry and Pharmaceutical Technology

Ph.D. Università degli Studi di Siena (2006) Pharmaceutical Sciences


ORCID iD icon0000-0002-5964-7111

Diogo Santos-Martins, Ph.D.


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.

Jérome Eberhardt, Ph.D.


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).

Giulia Bianco, Ph.D.


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.

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. Unwilling Scotty of our Enterprise. But captain, I’m givin’ ya all she’s got!

Matthew Holcomb

Grad Student

Fifth year graduate student at Scripps Research who 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.

Christina Garza

Grad Student

Third year MD-PhD student studying viral biophysics with Drs. Forli and Torbett at Scripps. Background in molecular dynamics simulation. Her 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 her way, she will climb it. Has offensive taste in chocolate.

Batuujin Burendei

Rotating Grad Student

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.

Paolo Governa

Visiting Ph. D. Student

Ph.D. student in Chemical and Pharmaceutical Sciences at the University of Siena, Italy. His main research project involves the study of the bioavailability of natural products from herbal species, integrating cell biology and computational methods. Likes to learn new things.

Loves natural products and stylish Vim color schemes.

Michelle Wilson

Lab Admin and Coordinator


Past members

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