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PublicationWe introduce MIMIC a generative multimodal foundation model trained across biomolecular sequences 3D structures and functional assays. MIMIC performs unified representation learning and conditional generation across nucleic acids …
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PublicationWhile cryo-electron microscopy (cryo-EM) has come to prominence in the last decade due to its ability to resolve biomolecular complexes at atomic resolution, advancements in experimental …
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PublicationWhile cryo-electron microscopy (cryo-EM) has come to prominence in the last decade due to its ability to resolve biomolecular complexes at atomic resolution, advancements in experimental …
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PublicationCryogenic electron microscopy (cryo-EM) has emerged as a powerful method for resolving the structure of biological macromolecules. Recently, several computational methods have been developed to study the …
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PublicationCryogenic electron microscopy (cryo-EM) has emerged as a powerful method for resolving the structure of biological macromolecules. Recently, several computational methods have been developed to study the …
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PublicationMarkov state models (MSMs) are widely employed to analyze the kinetics of complex systems. But despite their effectiveness in many applications, MSMs are prone to systematic or statistical …
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PublicationMarkov state models (MSMs) are widely employed to analyze the kinetics of complex systems. But despite their effectiveness in many applications, MSMs are prone to systematic or statistical …
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PublicationPose estimation is a general problem in computer vision with wide applications. The relative orientation of a 3D reference object can be determined from a 3D rotated version …
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Publication… understanding of MUT-16 phase separation and subsequent MUT-8 recruitment, key processes in assembling Mutator foci that drive RNA silencing in C. elegans.
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Publication… understanding of MUT-16 phase separation and subsequent MUT-8 recruitment, key processes in assembling Mutator foci that drive RNA silencing in C. elegans.
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Publication… all participants help chart a path forward for the improvements of heterogeneity methods for cryo-EM and for future challenges to validate these new methods as they …
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Publication… all participants help chart a path forward for the improvements of heterogeneity methods for cryo-EM and for future challenges to validate these new methods as they …
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PublicationWhile cryo-electron microscopy (cryo-EM) has come to prominence in the last decade due to its ability to resolve biomolecular complexes at atomic resolution, advancements in experimental …
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PublicationWe explore a quaternion adjugate matrix-based representation for rotational motion in the Perspective-n-Point (PnP) problem. Leveraging quadratic quaternion terms within a Determinant Ratio Matrix (DRaM …
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PublicationWe explore a quaternion adjugate matrix-based representation for rotational motion in the Perspective-n-Point (PnP) problem. Leveraging quadratic quaternion terms within a Determinant Ratio Matrix (DRaM …
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PublicationAccurate prediction of drug-target binding and unbinding kinetics and thermodynamics is essential for guiding drug discovery and lead optimization. However, traditional atomistic simulations are often too computationally …
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PublicationAccurate prediction of drug-target binding and unbinding kinetics and thermodynamics is essential for guiding drug discovery and lead optimization. However, traditional atomistic simulations are often too computationally …
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PublicationSeptins are a conserved family of cytoskeletal proteins known for sensing micron-scale membrane curvature via amphipathic helix (AH) domains. While cooperative interactions in septin assembly have been …
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PublicationSeptins are a conserved family of cytoskeletal proteins known for sensing micron-scale membrane curvature via amphipathic helix (AH) domains. While cooperative interactions in septin assembly have been …
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PublicationMicrotubules are essential cytoskeletal filaments involved in cell motility, division, and intracellular transport, exhibiting complex structural dynamics governed by diverse biophysical factors. Atomistic simulations of microtubule assemblies remain …
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PublicationMicrotubules are essential cytoskeletal filaments involved in cell motility, division, and intracellular transport, exhibiting complex structural dynamics governed by diverse biophysical factors. Atomistic simulations of microtubule assemblies remain …
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PublicationProteins are dynamic molecules that depend on conformational flexibility to carry out functions in the cell, yet despite significant advances in the modeling of static protein structure, prediction …
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PublicationProteins are dynamic molecules that depend on conformational flexibility to carry out functions in the cell, yet despite significant advances in the modeling of static protein structure, prediction …
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PublicationUnderstanding protein conformation is key to understanding their function. Importantly, most proteins adopt multiple conformations with nontrivial ensemble distributions that change depending on their environment to perform functions …
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PublicationUnderstanding protein conformation is key to understanding their function. Importantly, most proteins adopt multiple conformations with nontrivial ensemble distributions that change depending on their environment to perform functions …
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PublicationAmphipathic helices (AHs) are secondary structures that can facilitate binding of proteins to the membrane by folding into a helix with hydrophobic and hydrophilic faces that interact with …
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PublicationAmphipathic helices (AHs) are secondary structures that can facilitate binding of proteins to the membrane by folding into a helix with hydrophobic and hydrophilic faces that interact with …
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PublicationDespite the parallels between problems in computer vision and cryo-electron microscopy (cryo-EM), many state-of-the-art approaches from computer vision have yet to be adapted …
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PublicationSimulating membrane proteins accurately combines two challenges into one: properly capturing the structure and dynamics of proteins as well as correctly representing the membrane environment in which they …
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PublicationResolving continuous conformational heterogeneity in single-particle cryo-electron microscopy (cryo-EM) is a field in which new methods are now emerging regularly. Methods range from traditional statistical …
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PublicationResolving continuous conformational heterogeneity in single-particle cryo-electron microscopy (cryo-EM) is a field in which new methods are now emerging regularly. Methods range from traditional statistical …
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PublicationCryogenic electron microscopy (cryo-EM) has emerged as a powerful method for resolving the atomistic details of cellular components. In recent years, several computational methods have been developed …
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PublicationCryo-electron microscopy (cryo-EM) is a powerful technique for determining high-resolution 3D biomolecular structures from imaging data. As this technique can capture dynamic biomolecular complexes, 3D …
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PublicationSeptins are a class of cytoskeletal proteins that preferentially bind to domains of micron-scale curvature on the cell membrane. Studies have shown that amphipathic helix (AH) domains …
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PublicationMicrotubules are essential cytoskeletal filaments involved in cell motility, division, and intracellular transport. These biomolecular assemblies can exhibit complex structural be-haviors influenced by various biophysical factors. However …
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Publication… the mutation of seven Arg residues in MUT-16 to Lys and Ala weakens MUT-8 binding in vitro.
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PublicationIn cells, transcription is tightly regulated on multiple layers. The condensation of the transcription machinery into distinct phases is hypothesized to spatio-temporally fine tune RNA polymerase II …
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PublicationDrugs that target pre-mRNA splicing hold great therapeutic potential, but the quantitative understanding of how these drugs work is limited. Here we introduce mechanistically interpretable quantitative models …
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PublicationAllostery is the mechanism by which information and control are propagated in biomolecules. It regulates ligand binding, chemical reactions, and conformational changes. An increasing level of experimental resolution …
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PublicationTransient receptor potential (TRP) ion channels are among the most well-studied classes of temperature-sensing molecules. Yet, the molecular mechanism and thermodynamic basis for the temperature sensitivity …
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PublicationSensation of light is essential for all organisms. The eye-less nematode Caenorhabditis elegans detects UV and blue light to evoke escape behavior. The photosensor LITE-1 absorbs …
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PublicationSingle-particle cryo-electron microscopy (cryo-EM) is a technique that takes projection images of biomolecules frozen at cryogenic temperatures. A major advantage of this technique is its …
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PublicationSingle-particle cryo-electron microscopy (cryo-EM) is a technique that takes projection images of biomolecules frozen at cryogenic temperatures. A major advantage of this technique is its …
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PublicationCryo-electron microscopy (cryo-EM) has recently become a leading method for obtaining high-resolution structures of biological macromolecules. However, cryo-EM is limited to biomolecular samples with …
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PublicationCryo-electron microscopy (cryo-EM) has recently become a leading method for obtaining high-resolution structures of biological macromolecules. However, cryo-EM is limited to biomolecular samples with …
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PublicationThe 3D pose estimation problem – aligning pairs of noisy 3D point clouds – is a problem with a wide variety of real- world applications. Here we focus on the …
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Publication… variable polyQ tract removed, and a mutant (F527A) using chain growth structures as initial conformations for replica exchange (REST2) simulations. In addition to different mechanisms of temperature …
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PublicationQuaternions are important for a wide variety of rotation-related problems in computer graphics, machine vision, and robotics. We study the nontrivial geometry of the relationship between quaternions …