Physics of Proteins: Design & Prediction
FOCUS · MAR-M71 · ID: 3112437
Presentations
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Global epistasis from a physical learning perspective
ORAL
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Presenters
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Farshid Mohammad-Rafiee
- Department of Physics and Astronomy, University of Pennsylvania,
Authors
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Farshid Mohammad-Rafiee
- Department of Physics and Astronomy, University of Pennsylvania,
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Mengyi Sun
- Simons Center for Quantitative Biology, Cold Spring Harbor Laboratory
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Marcelo Guzmán
- University of Pennsylvania
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Felipe Martins
- University of Pennsylvania
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David M McCandlish
- Simons Center for Quantitative Biology, Cold Spring Harbor Laboratory
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Joshua B Plotkin
- Department of Biology, University of Pennsylvania
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Andrea J Liu
- University of Pennsylvania
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Machine Learning-Enhanced Predictions of Transcription Factor-DNA Binding Stability in Genomic Contexts
ORAL
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Publication: Machine Learning-Enhanced Predictions of Transcription Factor-DNA Binding Stability in Genomic Contexts (planned paper)
Presenters
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Carmen Al Masri
- University of California, Irvine
Authors
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Carmen Al Masri
- University of California, Irvine
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Jin Yu
- University of California, Irvine
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Designing a Protein-Protein Interface Scoring Function Using Graph Neural Networks
ORAL
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Presenters
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Naomi Brandt
- Yale University
Authors
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Naomi Brandt
- Yale University
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Jacob Sumner
- Yale University
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Devon Finlay
- Yale University
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Corey S O'Hern
- Yale University
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Interactive molecular visualization and simulation: examples and challenges with UDock and VTX
ORAL · Invited
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Publication: [1] Levieux G, Tiger G, Natkin S, Zagury JF, Montes M. FD169: UDock, the protein docking entertainment system. Faraday Discuss. 2014, 169 (1): 425-441
[2] Plateau-Holleville C, Guionnière S, Boyer B, Jimenez-Garcia B, Levieux G, Merillou S, Maria M, Montes M. UDock2: Interactive real-time multi-body protein-protein docking software. Bioinformatics, 2023; 39 (10), btad609
[3] Plateau-Holleville C, Maria M, Merillou S, Montes M. Efficient GPU computation of large protein Solvent-Excluded Surface. IEEE Trans Vis Comput Graph, 2024
[4] Maria M, Guionnière S, Dacquay N, Plateau–Holleville C, Guillaume V, Larroque V, Lardé J, Mérillou S, Lagarde N, Naimi Y, Piquemal JP, Levieux G, Montes M. VTX: Real-Time High-Performance Molecular Structure and Dynamics Visualization Software. Submitted manuscriptPresenters
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Matthieu Montes
- Conservatoire National des Arts et Metiers, Hesam Universite
Authors
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Matthieu Montes
- Conservatoire National des Arts et Metiers, Hesam Universite
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Mechano-electrical coupling in PIEZO channels revealed from multiscale simulations
ORAL
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Publication: 1. Wen C., Luo, Y., Madsen, J., Optimizing coarse-grained models for large-scale membrane protein simulations, bioRxiv doi.org/10.1101/2024.05.13.594009, 2024
2. Wijerathne T., Bhatt A., Jiang W., Luo Y., Lacroix J., Mammalian PIEZO channels rectify anionic currents, bioRxiv, 2024.08. 23.609388, 2024
3. Li S., Wu B., Luo Y., Han W., Simulation of functional motion of super large biomolecules with a mixed-resolution model, J. Chem. Theory Comput., 2024
4. Jiang W., Wijerathne, T., Zhang H., Lin Y., Jo S., Im W., Lacroix J., Luo Y., Structural and thermodynamic framework for PIEZO1 modulation by small molecules, PNAS, 120, e2310933120, 2023
5. Jiang W., et. al., Lacroix J., Rohacs T., Luo Y., Crowding-induced opening of the mechanosensitive Piezo1 channel in silico. Commun. Biol. 4, 84, 2021
6. Jiang, W., Ling, Y., Luo, Y., Mechanical properties of anionic asymmetric bilayers from atomistic simulations, J. Chem. Phys., 2021
7. Botello-Smith W, Zhang H, Ozkan AD, Jiang W, Pham CN, Lacroix J, Luo Y, A molecular Mechanism for the Chemical Activation of the Mechanosensitive Piezo1 Channel, Nat. Commun., DOI: 10.1038/s41467-019-12501-1.Presenters
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Yun L Luo
- Western University of Health Sciences
Authors
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Yun L Luo
- Western University of Health Sciences
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Shu Li
- Centre for Artificial Intelligence Driven Drug Discovery, Faculty of Applied Sciences, Macao Polytechnic University, Macao SAR 999078
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Wei Han
- Department of Chemistry, Faculty of Science, Hong Kong Baptist University, Hong Kong SAR 999077
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Aashish Bhatt
- Western University of Health Sciences
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The relevance of vibrational modes in flexible docking of proteins
ORAL
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Presenters
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Devon Finlay
- Yale University
Authors
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Devon Finlay
- Yale University
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Jacob Sumner
- Yale University
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Corey S O'Hern
- Yale University
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Measuring the Interaction Radius of Proteins Using Small-Angle Scattering
ORAL
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Presenters
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Chelsea E Edwards
- National Institute of Standards and Technology (NIST)
Authors
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Chelsea E Edwards
- National Institute of Standards and Technology (NIST)
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Guangcui Yuan
- National Institute of Standards and Technology (NIST)
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Yun Liu
- National Institute of Standards and Technology (NIST)
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Target Prediction and Ligand Selectivity Using Inverse Virtual Screening for Structure-Based Drug Design
ORAL
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Presenters
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Abeeb Ajibade
- University of Missouri - Columbia
Authors
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Abeeb Ajibade
- University of Missouri - Columbia
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Xianjin Xu
- University of Missouri - Columbia
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Xiaoqin Zou
- University of Missouri
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Queuing theory models of competitive protein-protein interactions
ORAL
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Presenters
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Yuming Jiang
- Syracuse University
Authors
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Yuming Jiang
- Syracuse University
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Antun Skanata
- Syracuse University
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Liviu Movileanu
- Syracuse University
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Blocking and single-point mutations of aminoacids in biological enzymes through Protein Residue Networks (PRN) and graph-theory representations. Analysis of local and non-local spreading effects.
ORAL
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Publication: 1. AGUILAR PINEDA GE and OLIVARES QUIROZ L. Phys Biol, 18, 066002, (2021). DOI: 10.1088/1478-3975/ac211b.
2. OLIVARES QUIROZ L. Journal of Complex Networks, Volume 12, Issue 4, August 2024, cnae033, https://doi.org/10.1093/comnet/cnae033
3. José A Vélez-Pérez and L Olivares-Quiroz 2024 Phys. Scr. 99 1059c8. DOI 10.1088/1402-4896/ad7a2dPresenters
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Luis Olivares-Quiroz
- Universidad Autónoma de la Ciudad de México UACM
Authors
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Luis Olivares-Quiroz
- Universidad Autónoma de la Ciudad de México UACM
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Ohtli Quiroz-Sánchez
- CINVESTAV
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Biophysical Principles Predict Fitness of SARS-CoV-2 Variants
ORAL
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Publication: https://www.pnas.org/doi/abs/10.1073/pnas.2314518121
Presenters
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Dianzhuo Wang
- Harvard University
Authors
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Dianzhuo Wang
- Harvard University
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Marian Huot
- Harvard University
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Vaibhav Mohanty
- Harvard University/MIT
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Eugene I Shakhnovich
- Harvard University
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Elucidating the Dynamic Interactions of Borrelia burgdorferi Surface Proteins with Fibronectin using Atomic Force Microscopy
ORAL
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Presenters
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Kavindi Madduma Hewage
- University of North Dakota
Authors
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Kavindi Madduma Hewage
- University of North Dakota
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Carlos Miguel Munoz
- University of North Dakota
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Mehmet Ozdogan
- University of North Dakota
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Nuri Oncel
- University of North Dakota
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Catherine Brissette
- University of North akota
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Yvonne Tourand
- University of North dakota
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Timothy Casselli
- University of North dakota
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Single-molecule Protein Analysis Based on Engineered Nanopores
ORAL
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Publication: M. Zhang et al. Real-time detection of 20 amino acids and discrimination of pathologically relevant peptides with functionalized nanopore. 2024, Nature Methods, 21(4), 609–618.
Presenters
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Ming Zhang
- Sichuan University
Authors
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Ming Zhang
- Sichuan University
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Chao Tang
- Sichuan University
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Zichun Wang
- Sichuan University
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Shanchuan Chen
- Sichuan University
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Lu Chen
- Sichuan University
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Jia Geng
- Sichuan University
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