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Scientific large language models: A survey on biological & chemical domains
Large Language Models (LLMs) have emerged as a transformative power in enhancing
natural language comprehension, representing a significant stride toward artificial general …
natural language comprehension, representing a significant stride toward artificial general …
Artificial intelligence-aided protein engineering: from topological data analysis to deep protein language models
Protein engineering is an emerging field in biotechnology that has the potential to
revolutionize various areas, such as antibody design, drug discovery, food security, ecology …
revolutionize various areas, such as antibody design, drug discovery, food security, ecology …
OpenFold: Retraining AlphaFold2 yields new insights into its learning mechanisms and capacity for generalization
AlphaFold2 revolutionized structural biology with the ability to predict protein structures with
exceptionally high accuracy. Its implementation, however, lacks the code and data required …
exceptionally high accuracy. Its implementation, however, lacks the code and data required …
Learning inverse folding from millions of predicted structures
We consider the problem of predicting a protein sequence from its backbone atom
coordinates. Machine learning approaches to this problem to date have been limited by the …
coordinates. Machine learning approaches to this problem to date have been limited by the …
US-align: universal structure alignments of proteins, nucleic acids, and macromolecular complexes
Abstract Structure comparison and alignment are of fundamental importance in structural
biology studies. We developed the first universal platform, US-align, to uniformly align …
biology studies. We developed the first universal platform, US-align, to uniformly align …
Protein remote homology detection and structural alignment using deep learning
Exploiting sequence–structure–function relationships in biotechnology requires improved
methods for aligning proteins that have low sequence similarity to previously annotated …
methods for aligning proteins that have low sequence similarity to previously annotated …
Artificial intelligence for science in quantum, atomistic, and continuum systems
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural
sciences. Today, AI has started to advance natural sciences by improving, accelerating, and …
sciences. Today, AI has started to advance natural sciences by improving, accelerating, and …
Protein structure prediction with in-cell photo-crosslinking mass spectrometry and deep learning
While AlphaFold2 can predict accurate protein structures from the primary sequence,
challenges remain for proteins that undergo conformational changes or for which few …
challenges remain for proteins that undergo conformational changes or for which few …
Structure-informed language models are protein designers
This paper demonstrates that language models are strong structure-based protein
designers. We present LM-Design, a generic approach to reprogramming sequence-based …
designers. We present LM-Design, a generic approach to reprogramming sequence-based …
BeStSel: webserver for secondary structure and fold prediction for protein CD spectroscopy
Circular dichroism (CD) spectroscopy is widely used to characterize the secondary structure
composition of proteins. To derive accurate and detailed structural information from the CD …
composition of proteins. To derive accurate and detailed structural information from the CD …