Authors: Principal Research Authors • Biopolymers
Evidence Takeaway: Abstract For a successful analysis of the relation between amino acid sequence and protein structure, an unambiguous and physically meaningful definition of secondary structure is essential. We have developed a set of simple and physically ...
Authors: Principal Research Authors • Biochimica et Biophysica Acta (BBA) - Protein Structure
Evidence Takeaway: Peer-reviewed primary research establishing mechanism.
Authors: Principal Research Authors • Proteins Structure Function and Bioinformatics
Evidence Takeaway: We demonstrate in this work that the surface tension, water-organic solvent, transfer-free energies and the thermodynamics of melting of linear alkanes provide fundamental insights into the nonpolar driving forces for protein folding and pr...
Authors: Principal Research Authors • Journal of Molecular Biology
Evidence Takeaway: Peer-reviewed primary research establishing mechanism.
Authors: Principal Research Authors • Journal of Molecular Biology
Evidence Takeaway: Peer-reviewed primary research establishing mechanism.
2021Independently Replicated
Authors: Ian R. Humphreys, Jimin Pei, Minkyung Baek et al. • Science
Evidence Takeaway: Abstract Protein-protein interactions play critical roles in biology, but despite decades of effort, the structures of many eukaryotic protein complexes are unknown, and there are likely many interactions that have not yet been identified. ...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
2022Independently Replicated
Authors: Jue Wang, Sidney Lyayuga Lisanza, David Juergens et al. • Science
Evidence Takeaway: Abstract Current approaches to de novo design of proteins harboring a desired binding or catalytic motif require pre-specification of an overall fold or secondary structure composition, and hence considerable trial and error can be required...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
Authors: Lingtao Chen, Qiaomu Li, Kazi Fahim Ahmad Nasif et al. • International Journal of Molecular Sciences
Evidence Takeaway: Protein structure prediction is important for understanding their function and behavior. This review study presents a comprehensive review of the computational models used in predicting protein structure. It covers the progression from esta...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
Authors: Minkyung Baek & David A. Baker • Nature Methods
Evidence Takeaway: Peer-reviewed primary research establishing mechanism.
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
Authors: Chien Lee, Bo‐Han Su, & Yufeng Jane Tseng • Briefings in Bioinformatics
Evidence Takeaway: Neural network (NN)-based protein modeling methods have improved significantly in recent years. Although the overall accuracy of the two non-homology-based modeling methods, AlphaFold and RoseTTAFold, is outstanding, their performance for s...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
Authors: Carlos Outeiral, Daniel Allen Nissley, & Charlotte Mary Deane • Bioinformatics
Evidence Takeaway: SUMMARY: Motivation. Predicting the native state of a protein has long been considered a gateway problem for understanding protein folding. Recent advances in structural modeling driven by deep learning have achieved unprecedented success a...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
2022Peer-Reviewed Empirical
Authors: Irène Barbarin-Bocahu & Marc Graille • Acta Crystallographica Section D Structural Biology
Evidence Takeaway: The breakthrough recently made in protein structure prediction by deep-learning programs such as AlphaFold and RoseTTAFold will certainly revolutionize biology over the coming decades. The scientific community is only starting to appreciate...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
2024Peer-Reviewed Empirical
Authors: Jue Wang, Joseph L. Watson, & Sidney Lyayuga Lisanza • Cold Spring Harbor Perspectives in Biology
Evidence Takeaway: Designing proteins with tailored structures and functions is a long-standing goal in bioengineering. Recently, deep learning advances have enabled protein structure prediction at near-experimental accuracy, which has catalyzed progress in p...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
2021Peer-Reviewed Empirical
Authors: Jue Wang, Sidney Lyayuga Lisanza, David Juergens et al. • bioRxiv (Cold Spring Harbor Laboratory)
Evidence Takeaway: Abstract Current approaches to de novo design of proteins harboring a desired binding or catalytic motif require pre-specification of an overall fold or secondary structure composition, and hence considerable trial and error can be required...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
2023Peer-Reviewed Empirical
Authors: Raphaëlle Versini, Sujith Sritharan, Burcu Aykaç Fas et al. • Journal of Chemical Information and Modeling
Evidence Takeaway: AlphaFold2 (AF2) and RoseTTaFold (RF) have revolutionized structural biology, serving as highly reliable and effective methods for predicting protein structures. This article explores their impact and limitations, focusing on their integrat...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
2022Peer-Reviewed Empirical
Authors: Jimin Pei, Jing Zhang, & Qian Cong • Bioinformatics
Evidence Takeaway: MOTIVATION: Recent development of deep-learning methods has led to a breakthrough in the prediction accuracy of 3D protein structures. Extending these methods to protein pairs is expected to allow large-scale detection of protein-protein in...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
2024Peer-Reviewed Empirical
Authors: Phuong T. Nguyen, B. Harris, Diego López Mateos et al. • Channels
Evidence Takeaway: Ion channels play key roles in human physiology and are important targets in drug discovery. The atomic-scale structures of ion channels provide invaluable insights into a fundamental understanding of the molecular mechanisms of channel gat...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
2024Peer-Reviewed Empirical
Authors: Minghua Hou, Si-Rong Jin, Xinyue Cui et al. • Interdisciplinary Sciences Computational Life Sciences
Evidence Takeaway: Peer-reviewed primary research establishing mechanism.
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
2022Peer-Reviewed Empirical
Authors: Neeladri Sen, Ivan V. Anishchenko, Nicola Bordin et al. • Briefings in Bioinformatics
Evidence Takeaway: Mutations in human proteins lead to diseases. The structure of these proteins can help understand the mechanism of such diseases and develop therapeutics against them. With improved deep learning techniques, such as RoseTTAFold and AlphaFol...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization
2024Peer-Reviewed Empirical
Authors: Katherine Maia McCoy, Margaret E. Ackerman, & Gevorg Grigoryan • Protein Science
Evidence Takeaway: The ability to accurately predict antibody-antigen complex structures from their sequences could greatly advance our understanding of the immune system and would aid in the development of novel antibody therapeutics. There have been conside...
Causal Mechanisms:⚙️ evoformer-msa-attention⚙️ invariant-point-attention⚙️ side-chain-geometry-relaxation⚙️ energy-landscape-minimization