Search Results - "Didi, Kieran"

Biomolecular condensate phase diagrams with a combinatorial microdroplet platform by Arter, William E., Qi, Runzhang, Erkamp, Nadia A., Krainer, Georg, Didi, Kieran, Welsh, Timothy J., Acker, Julia, Nixon-Abell, Jonathan, Qamar, Seema, Guillén-Boixet, Jordina, Franzmann, Titus M., Kuster, David, Hyman, Anthony A., Borodavka, Alexander, George-Hyslop, Peter St, Alberti, Simon, Knowles, Tuomas P. J.

“…The assembly of biomolecules into condensates is a fundamental process underlying the organisation of the intracellular space and the regulation of many…”
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Synsor: a tool for alignment-free detection of engineered DNA sequences by Tay, Aidan P, Didi, Kieran, Wickramarachchi, Anuradha, Bauer, Denis C, Wilson, Laurence O W, Maselko, Maciej

“…DNA sequences of nearly any desired composition, length, and function can be synthesized to alter the biology of an organism for purposes ranging from the…”
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Assessing antibody and nanobody nativeness for hit selection and humanization with AbNatiV by Ramon, Aubin, Ali, Montader, Atkinson, Misha, Saturnino, Alessio, Didi, Kieran, Visentin, Cristina, Ricagno, Stefano, Xu, Xing, Greenig, Matthew, Sormanni, Pietro

“…Monoclonal antibodies have emerged as key therapeutics. In particular, nanobodies, small, single-domain antibodies that are naturally expressed in camelids,…”
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MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery by Siebenmorgen, Till, Menezes, Filipe, Benassou, Sabrina, Merdivan, Erinc, Didi, Kieran, Mourão, André Santos Dias, Kitel, Radosław, Liò, Pietro, Kesselheim, Stefan, Piraud, Marie, Theis, Fabian J, Sattler, Michael, Popowicz, Grzegorz M

“…Large language models have greatly enhanced our ability to understand biology and chemistry, yet robust methods for structure-based drug discovery, quantum…”
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On How AI Needs to Change to Advance the Science of Drug Discovery by Didi, Kieran, Zečević, Matej

“…Research around AI for Science has seen significant success since the rise of deep learning models over the past decade, even with longstanding challenges such…”
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A framework for conditional diffusion modelling with applications in motif scaffolding for protein design by Didi, Kieran, Vargas, Francisco, Mathis, Simon V, Dutordoir, Vincent, Mathieu, Emile, Komorowska, Urszula J, Lio, Pietro

“…Many protein design applications, such as binder or enzyme design, require scaffolding a structural motif with high precision. Generative modelling paradigms…”
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Benchmarking Generated Poses: How Rational is Structure-based Drug Design with Generative Models? by Harris, Charles, Didi, Kieran, Jamasb, Arian R, Joshi, Chaitanya K, Mathis, Simon V, Lio, Pietro, Blundell, Tom

“…Deep generative models for structure-based drug design (SBDD), where molecule generation is conditioned on a 3D protein pocket, have received considerable…”
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Evaluating representation learning on the protein structure universe by Jamasb, Arian R, Morehead, Alex, Joshi, Chaitanya K, Zhang, Zuobai, Didi, Kieran, Mathis, Simon V, Harris, Charles, Tang, Jian, Cheng, Jianlin, Lio, Pietro, Blundell, Tom L

“…We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We…”
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RNA-FrameFlow: Flow Matching for de novo 3D RNA Backbone Design by Anand, Rishabh, Joshi, Chaitanya K, Morehead, Alex, Jamasb, Arian R, Harris, Charles, Mathis, Simon V, Didi, Kieran, Hooi, Bryan, Liò, Pietro

“…We introduce RNA-FrameFlow, the first generative model for 3D RNA backbone design. We build upon SE(3) flow matching for protein backbone generation and…”
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DEFT: Efficient Fine-Tuning of Diffusion Models by Learning the Generalised $h$-transform by Denker, Alexander, Vargas, Francisco, Padhy, Shreyas, Didi, Kieran, Mathis, Simon, Dutordoir, Vincent, Barbano, Riccardo, Mathieu, Emile, Komorowska, Urszula Julia, Lio, Pietro

“…Generative modelling paradigms based on denoising diffusion processes have emerged as a leading candidate for conditional sampling in inverse problems. In many…”
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Structure-based Drug Design with Equivariant Diffusion Models by Schneuing, Arne, Harris, Charles, Du, Yuanqi, Didi, Kieran, Jamasb, Arian, Igashov, Ilia, Du, Weitao, Gomes, Carla, Blundell, Tom, Lio, Pietro, Welling, Max, Bronstein, Michael, Correia, Bruno

“…Structure-based drug design (SBDD) aims to design small-molecule ligands that bind with high affinity and specificity to pre-determined protein targets…”
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