2023 Accepted Papers
Paper Title | Paper Authors |
|---|---|
Role of Structural and Conformational Diversity for Machine Learning Potentials | Nikhil Shenoy, Prudencio Tossou, Emmanuel Noutahi, Hadrien Mary, Dominique Beaini, Jiarui Ding |
datamol.io - an open-source ecosystem of tools for AI-based drug discovery | Hadrien Mary, Emmanuel Noutahi, Cas Wognum, Michael Craig, Lu Zhu |
Gotta be SAFE: A New Framework for Molecular Design | Emmanuel Noutahi, Cristian Gabellini, Michael Craig, Jonathan S.C Lim, Prudencio Tossou |
The Discovery of Binding Modes Requires Rethinking Docking Generalization | Gabriele Corso, Arthur Deng, Nicholas Polizzi, Regina Barzilay, Tommi Jaakkola |
Learning Scalar Fields for Molecular Docking with Fast Fourier Transforms | Bowen Jing, Tommi Jaakkola, Bonnie Berger |
AF2BIND: Predicting ligand-binding sites using the pair representation of AlphaFold2 | Artem Gazizov, Anna Lian, Casper Goverde, Sergey Ovchinnikov, Nicholas Polizzi |
Automated segmentation of cryo-electron tomograms | Rishwanth Raghu, S. Mazdak Abulnaga, Mahrukh Usmani, Nicolas Coudray, Gira Bhabha, Damian Ekiert, Ellen Zhong |
PepPrCLIP: De Novo Generation and Prioritization of Target-Binding Peptide Motifs from Sequence Alone | Suhaas Bhat, Kalyan Palepu, Pranam Chatterjee |
RINGER: Conformer Ensemble Generation of Macrocyclic Peptides with Sequence-Conditioned Internal Coordinate Diffusion | Colin A. Grambow, Hayley Weir, Nathaniel L. Diamant, Tommaso Biancalani, Gabriele Scalia, Kangway V. Chuang |
Transition Path Sampling with Boltzmann Generator-based MCMC Moves | Michael Plainer, Hannes Stark, Charlotte Bunne, Stephan Gunnemann |
A benchmark of dynamic molecular complexes for cryo-EM structure determination | Minkyu Jeon, Alkin Kaz, Rishwanth Raghu, Ellen D. Zhong |
STRIDE: Structure-guided Generation for Inverse Design of Molecules | Shehtab Zaman, Denis Akhiyarov, Mauricio Araya-Polo, Kenneth Chiu |
Accepted Posters
The following table displays the accepted posters and which poster session they will be part of. We will announce accepted posters on Oct. 18, 2023.
Poster Format
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Posters should be sized 48” x 36”, and oriented in landscape.
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All posters should be physically printed. No screens will be available for electronic posters.
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Posters should be printed and brought to the conference on November 8, 2023. Please do not mount your poster on foam core. We will provide push pins for you to affix your poster to the poster board.
Poster Session
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Location. The poster session will take place on the 1st floor of the Koch Institute in the main hallway and in Luria Auditorium.
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Schedule and Map. Board numbers and board assignments will be provided day-of at the Registration Table.
Last updated: Aug. 10, 2023