PROGRAM
THURSDAY, May 25
| 7:30 | Continental breakfast |
| 8:25 | Welcome - Organizers |
| Session chair: | Olson |
| 8:35 | Honig, | Using structure to predict protein interactions and signaling networks |
| 9:00 | Brooks, | Establishing structure-function hypotheses for biocatalyst design from ancestral phylogenetic reconstruction and structure prediciton |
| 9:25 | Bahar, | Merger of machine learning methods and elastic network models for estimating the impact of mutations |
| 9:50 | Dunbrack, | Modeling the human kinome with AlphaFold2 |
| 10:15 | Coffee break |
| Session chair: | Skolnick |
| 10:45 | Bonvin, | Towards accurate antibody-antigen complex structure prediction from sequence using AI and integrative modelling |
| 11:10 | Levy, | Exploring conformational and evolutionary landscapes of proteins using physics and machine learning approaches |
| 11:35 | Mitchell, | Evolutionary and generative approaches to protein structure |
| 12:00 | Lunch |
| Session chair: | Dill |
| 1:15 | Sternberg, | Structure-based modelling of missense variants |
| 1:40 | Vajda, | New results on protein mapping |
| 2:05 | Gray, | Physics-based and deep-learning based protein-protein docking |
| 2:30 | Grishin, | Evolutionary classsification using AFold models |
| 2:55 | Coffee break |
| Session chair: | Lichtarge |
| 3:20 | Velankar, | Enabling use of structure data: PDBe-Knowledge Base and its role in facilitating structural biology research |
| 3:45 | Lensink, | Twenty years of docking and scoring in CAPRI |
| 4:10 | Slusky, | General features of transmembrane beta barrels from a large dataset |
| 4:35 | Im, | What can CHARMM-GUI do for you? |
| 5:00 | Free time, dinner on your own |
| Poster session |
| 8:00 - 10:00 | Poster presentations, open bar |
FRIDAY, May 26
| 7:30 | Continental breakfast |
| Session chair: | Honig |
| 8:35 | Olson, | Making sense of the molecular cell |
| 9:00 | Dill, | Some developments on the statistical mechanics of protein interactions in water |
| 9:25 | Voth, | Computer simulation of large multi-protein complexes |
| 9:50 | Rohs, | Deep learning approaches for studies of protein-nucleic acid binding |
| 10:15 | Coffee break |
| Session chair: | Brooks |
| 10:45 | Skolnick, | Deep learning-driven insights provided by AF2Complex into outer membrane protein biogenesis in bacteria |
| 11:10 | Zhou, | Atomistic modeling of liquid-liquid phase equilibrium explains dependence of critical temperature on γ-crystallin sequence |
| 11:35 | Kozakov, | Modeling and modulation of molecular interactions on cellular level |
| 12:00 | Lunch |
| Session chair: | Bahar |
| 1:30 | Chiu, | CryoEM of chaperonin and substrate |
| 1:55 | Halfmann, | Nucleation barriers govern cell fate |
| 2:20 | Washburn, | Multicomplex integrative structural modeling of a human HDAC 1/2 interactome |
| 2:45 | Dokholyan, | Nanocomputing agents: Hacking cellular behavior |
| 3:10 | Vakser, | Docking-based simulation of cell-size protein systems |
| 3:35 | Coffee break |
| 4:00 | DISCUSSION: | Docking and Cellular Processes |
| 5:00 | Free time |
| 6:30 Reception and 7:00 - 9:00 Dinner at Eldridge |
SATURDAY, May 27
| 7:30 | Continental breakfast |
| Session chair: | Chiu |
| 8:35 | Ben‑Tal, | Proteins with multiple G protein-coupled receptor domains |
| 9:00 | Lichtarge, | Statistical mechanics in the fitness landscape: How equipartition of protein mutations links genes to complex diseases |
| 9:25 | Godzik, | Combining modeling and experiment to build a structurally resolved pathogen-host protein interaction network |
| 9:50 | Weng, | Mammalian evolution of human cis-regulatory elements and transcription factor binding sites |
| 10:15 | Coffee break |
| Session chair: | Zhou |
| 10:45 | Kihara, | Building and validating biomolecular structure models for cryo-EM maps using deep learning |
| 11:10 | Joseph‑McCarthy, | Structure-guided computational approaches for viral mitigation strategies |
| 11:35 | Palermo, | Dynamics and mechanisms of CRISPR-Cas9 through the lens of computational methods |
| 12:00 | Lunch |
| Session chair: | Dokholyan |
| 1:30 | Deeds, | Molecular mechanisms of proteasome self-assembly |
| 1:55 | Miao, | Kinetics of interactions with proteins |
| 2:20 | Shen, | Explainable data-driven prediction of protein-ligand binding affinity |
| 2:45 | Coffee break |
| Session chair: | Grishin |
| 3:15 | Zou, | Predicting protein-peptide interactions: Structure, large-scale peptide screening and application |
| 3:40 | Camacho, | SARS-CoV-2: A tale of a Slip-bond turned Tight-bond |
| 4:05 | Kundrotas, | DOCKGROUND resource for testing docking methodologies |
| 4:30 | Concluding remarks - Vakser, Vajda |