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


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