Forli, Stefano

Proteome-wide covalent ligand discovery in native biological systems

Backus, K. M., Correia, B. E., Lum, K. M., Forli, S., Horning, B. D., González-Páez, G. E., Chatterjee, S., Lanning, B. R., Teijaro, J. R., Olson, A. J., et al. (2016) · Nature

Click Chemistry and ApplicationsAdvanced Proteomics Techniques and Applications

Cited by 940

Global profiling of lysine reactivity and ligandability in the human proteome

Hacker, S. M., Backus, K. M., Lazear, M. R., Forli, S., Correia, B. E., & Cravatt, B. F. (2017) · Nature Chemistry

Click Chemistry and ApplicationsAdvanced Proteomics Techniques and Applications

Cited by 485

An Activity-Guided Map of Electrophile-Cysteine Interactions in Primary Human T Cells

Vinogradova, E. V., Zhang, X., Remillard, D., Lazar, D. C., Suciu, R. M., Wang, Y., Bianco, G., Yamashita, Y., Crowley, V. M., Schafroth, M. A., et al. (2020) · Cell

Redox biology and oxidative stressGenomics, phytochemicals, and oxidative stress

Cited by 351

AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins

Santos-Martins, D., Forli, S., Ramos, M. J., & Olson, A. J. (2014) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 318

Structure, lipid scrambling activity and role in autophagosome formation of ATG9A

Maeda, S., Yamamoto, H., Kinch, L. N., Garza, C. M., Takahashi, S., Otomo, C., Grishin, N. V., Forli, S., Mizushima, N., & Otomo, T. (2020) · Nature Structural & Molecular Biology

Autophagy in Disease and TherapyCellular transport and secretion

Cited by 305

A Force Field with Discrete Displaceable Waters and Desolvation Entropy for Hydrated Ligand Docking

Forli, S., & Olson, A. J. (2012) · Journal of Medicinal Chemistry

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 290

Covalent docking using autodock: two-point attractor and flexible side chain methods.

Bianco, G., Forli, S., Goodsell, D. S., & Olson, A. J. (2016) · Protein Science

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 246

Expedited mapping of the ligandable proteome using fully functionalized enantiomeric probe pairs

Wang, Y., Dix, M. M., Bianco, G., Remsberg, J. R., Lee, H.-Y., Kalocsay, M., Gygi, S. P., Forli, S., Vite, G., Lawrence, R. M., et al. (2019) · Nature Chemistry

Click Chemistry and ApplicationsAdvanced Proteomics Techniques and Applications

Cited by 179

Structural basis for strand-transfer inhibitor binding to HIV intasomes

Passos, D. O., Li, M., Jóźwik, I. K., Zhao, X. Z., Santos-Martins, D., Yang, R., Smith, S. J., Jeon, Y., Forli, S., Hughes, S. H., et al. (2020) · Science

HIV/AIDS drug development and treatmentHIV Research and Treatment

Cited by 106

De novo-designed pMHC binders facilitate T cell–mediated cytotoxicity toward cancer cells

Johansen, K. H., Wolff, D. S., Scapolo, B., Fernández-Quintero, M. L., Risager Christensen, C., Loeffler, J. R., Rivera-de-Torre, E., Overath, M. D., Kjærgaard Munk, K., Morell, O., et al. (2025) · Science

vaccines and immunoinformatics approachesCAR-T cell therapy research

Cited by 77

Natural Product Anacardic Acid from Cashew Nut Shells Stimulates Neutrophil Extracellular Trap Production and Bactericidal Activity

Hollands, A., Corriden, R., Gysler, G., Dahesh, S., Olson, J., Raza Ali, S., Kunkel, M. T., Lin, A. E., Forli, S., Newton, A. C., et al. (2016) · Journal of Biological Chemistry

Neutrophil, Myeloperoxidase and Oxidative MechanismsAntimicrobial Peptides and Activities

Cited by 73

Lennard-Jones Potential and Dummy Atom Settings to Overcome the AUTODOCK Limitation in Treating Flexible Ring Systems

Forli, S., & Botta, M. (2007) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 58

Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein–ligand binding challenge

Perryman, A. L., Santiago, D. N., Forli, S., Santos-Martins, D., & Olson, A. J. (2014) · Journal of Computer-Aided Molecular Design

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 46

Assessing AF2’s ability to predict structural ensembles of proteins

Riccabona, J. R., Spoendlin, F. C., Fischer, A.-L. M., Loeffler, J. R., Quoika, P. K., Jenkins, T. P., Ferguson, J. A., Smorodina, E., Laustsen, A. H., Greiff, V., et al. (2024) · Structure

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 17

Structural insights into IMP2 dimerization and RNA binding

Zorc, S. A., Munoz-Tello, P., O’Leary, T., Yu, X., Karadi Giridhar, M. N., Hondros, A. D., Hansel-Harris, A., Forli, S., Griffin, P. R., Kojetin, D. J., et al. (2025) · Journal of Structural Biology

Protein Structure and DynamicsRNA Research and Splicing

Cited by 5

Structural insights into IMP2 dimerization and RNA binding

Zorc, S., Munoz-Tello, P., O'Leary, T., Yu, X., Nag, M., Hansel-Harris, A., Forli, S., Griffin, P. R., Kojetin, D. J., Roy, R. N., et al. (2024) · Journal of Structural Biology

Protein Structure and DynamicsRNA Research and Splicing

Cited by 5

Assessing AF2’s ability to predict structural ensembles of proteins

Riccabona, J. R., Spoendlin, F. C., Fischer, A.-L. M., Loeffler, J. R., Quoika, P. K., Jenkins, T. P., Ferguson, J. A., Smorodina, E., Laustsen, A. H., Greiff, V., et al. (2024) · bioRxiv (Cold Spring Harbor Laboratory)

Protein Structure and DynamicsEnzyme Structure and Function

Cited by 2