PROGRAM
THURSDAY, October 27
| 7:30 | Continental breakfast |
| 8:25 | Welcome - Organizers |
| Session chair: | Olson |
| 8:35 | Honig, | Structure-informed interactomes and genome-wide function annotation using PrePPI |
| 9:00 | Wodak, | Interactomes: How nature copes with imperfection |
| 9:25 | Nussinov, | Oncogenic KRAS signaling pathways |
| 9:50 | Sternberg, | Exploiting the interactome to study genetic variation and disease |
| 10:15 | Coffee break |
| Session chair: | Dunbrack |
| 10:45 | Godzik, | Mutations on Protein Interaction Interfaces - cancer driver mutations disrupting protein interaction networks |
| 11:10 | Lichtarge, | Evolution vs Disease: From Big Data and Text Mining to Personalized Care |
| 11:35 | Moult, | Genomics, Disease, and Protein Structure (how structure helps interpret mutations, as revealed through CAGI) |
| 12:00 | Lunch |
| Session chair: | Nussinov |
| 1:30 | Skolnick, | Comprehensive prediction of drug-protein interactions and side effects for the human proteome |
| 1:55 | Ma, | Enhanced sampling in high accuracy protein structural refinement |
| 2:20 | Grishin, | Interactions and interfaces of homologous domains in ECOD database |
| 2:45 | Coffee break |
| Session chair: | Skolnick |
| 3:15 | Camacho, | On the regulation of protein-protein interactions by phosphorylation on intrinsically disordered tails: ACTN-Actin a case study |
| 3:40 | Karanicolas, | Designing de novo inhibitors of protein interactions |
| 4:05 | Slusky, | Design of an inhibitor for antibiotic efflux |
| 4:30 | Fiser, | ProtLID, a residue-based pharmacophore approach to identify cognate protein ligands in the Immunoglobulin Superfamily |
| 4:55 | Free time, dinner on your own |
| Poster session |
| 8:00 - 10:00 | Poster presentations, open bar |
FRIDAY, October 28
| 7:30 | Continental breakfast |
| Session chair: | Honig |
| 8:35 | Voth, | Ultra-coarse-graining and its application to multi-protein complexes |
| 9:00 | Olson, | Interacting with the Molecular Cell: from CellPACK to CellView |
| 9:25 | Feig, | Protein-protein interactions in concentrated environments: Simulations vs. experiment |
| 9:50 | Zhou, | Modeling intermolecular interactions and liquid-liquid phase equilibria in cell-like conditions |
| 10:15 | Coffee break |
| Session chair: | Voth |
| 10:45 | Levy, | Exploring fitness and free energy landscapes of proteins for allostery and binding |
| 11:10 | Jernigan, | Two types of protein entropies |
| 11:35 | Elofsson, | Accurate modelling of thousands of protein domain families using PconsC3 |
| 12:00 | Lunch |
| Session chair: | Wodak |
| 1:30 | Bonvin, | Energetics, scoring and binding affinity riddles in biomolecular interactions |
| 1:55 | Vajda, | Simplified statistical mechanics approaches to the analysis of protein interactions |
| 2:20 | Vakser, | Structural and functional relationships in protein docking |
| 2:45 | Coffee break |
| Session chair: | Bonvin |
| 3:15 | Weng, | Integrating cross-linking experiments with ab initio protein-protein docking |
| 3:40 | Kortemme, | Phenotypic consequences of interface mutations in multi-functional proteins |
| 4:05 | Fernandez-Recio, | The challenge of flexibility in protein-protein docking: using precomputed ensembles or explicit conformational search? |
| 4:30 | DISCUSSION: | New challenges in modeling of biomolecular interactions |
| 6:30 | Reception and | 7:00 - 9:00 | Dinner at Eldridge |
SATURDAY, October 29
| 7:30 | Continental breakfast |
| Session chair: | Sternberg |
| 8:35 | Dunbrack, | Structural bioinformatics and computational design of antibodies |
| 9:00 | Elber, | The response of coiled-coil system to load |
| 9:25 | Ben-Tal, | In proteins, segments reuse is common at all levels, domains are just one arbitrary example |
| 9:50 | Deeds, | Crosstalk and the evolvability of intracellular communication |
| 10:15 | Coffee break |
| Session chair: | Levy |
| 10:45 | Liang, | Beta Barrel Membrane Protein: Energy, structure, function, and design |
| 11:10 | Im, | Modeling and simulation of bacterial outer membranes and interactions with proteins |
| 11:35 | Shen, | Predicting protein conformational change upon binding and mutation |
| 12:00 | Lunch |
| Session chair: | Weng |
| 1:30 | Keskin, | TBA |
| 1:55 | Mitchell, | Predicting RNA binding sites on protein surfaces |
| 2:20 | Kozakov, | Towards fast simulation of flexible protein-protein interactions |
| 2:45 | Coffee break |
| Session chair: | Liang |
| 3:15 | Ray, | Regulation of bacterial growth in discrete steps and structured lineages |
| 3:40 | Kundrotas, | Physics and knowledge in scoring of predicted protein complexes |
| 4:05 | Concluding remarks - Vakser, Vajda |