Protein secondary structure prediction: A survey of the state of the art
Protein secondary structure prediction (PSSP) is a fundamental task in protein science and
computational biology, and it can be used to understand protein 3-dimensional (3-D) …
computational biology, and it can be used to understand protein 3-dimensional (3-D) …
Amyloid-β peptide dimers undergo a random coil to β-sheet transition in the aqueous phase but not at the neuronal membrane
Mounting evidence suggests that the neuronal cell membrane is the main site of oligomer-
mediated neuronal toxicity of amyloid-β peptides in Alzheimer's disease. To gain a detailed …
mediated neuronal toxicity of amyloid-β peptides in Alzheimer's disease. To gain a detailed …
MACE-OFF23: Transferable machine learning force fields for organic molecules
Classical empirical force fields have dominated biomolecular simulation for over 50 years.
Although widely used in drug discovery, crystal structure prediction, and biomolecular …
Although widely used in drug discovery, crystal structure prediction, and biomolecular …
Myofilament-associated proteins with intrinsic disorder (MAPIDs) and their resolution by computational modeling
B Sun, PM Kekenes-Huskey - Quarterly reviews of biophysics, 2023 - cambridge.org
The cardiac sarcomere is a cellular structure in the heart that enables muscle cells to
contract. Dozens of proteins belong to the cardiac sarcomere, which work in tandem to …
contract. Dozens of proteins belong to the cardiac sarcomere, which work in tandem to …
Contrastive representation learning for 3d protein structures
P Hermosilla, T Ropinski - arXiv preprint arXiv:2205.15675, 2022 - arxiv.org
Learning from 3D protein structures has gained wide interest in protein modeling and
structural bioinformatics. Unfortunately, the number of available structures is orders of …
structural bioinformatics. Unfortunately, the number of available structures is orders of …
[HTML][HTML] Analysis of Structural Changes in the Protein near the Phosphorylation Site
KS Nikolsky, LI Kulikova, DV Petrovskiy, VR Rudnev… - Biomolecules, 2023 - mdpi.com
Modification of the protein after synthesis (PTM) often affects protein function as supported
by numerous studies. However, there is no consensus about the degree of structural protein …
by numerous studies. However, there is no consensus about the degree of structural protein …
Insight into molecular characteristics of SARS-CoV-2 spike protein following D614G point mutation, a molecular dynamics study
M Mahmoudi Gomari, N Rostami… - Journal of …, 2022 - Taylor & Francis
Abstract Undoubtedly, the SARS-CoV-2 has become a major concern for all societies due to
its catastrophic effects on public health. In addition, mutations and changes in the structure …
its catastrophic effects on public health. In addition, mutations and changes in the structure …
[HTML][HTML] Linking Alzheimer's disease and type 2 diabetes: characterization and inhibition of cytotoxic Aβ and IAPP hetero-aggregates
The cytotoxic self-aggregation of β-amyloid (Aβ) peptide and islet amyloid polypeptide
(IAPP) is implicated in the pathogenesis of Alzheimer's disease (AD) and Type 2 diabetes …
(IAPP) is implicated in the pathogenesis of Alzheimer's disease (AD) and Type 2 diabetes …
Molecular dynamics study of the effects of static and oscillating electric fields in ovalbumin
Understand the conformational changes caused by emergent technologies in nutrients is
important to assess the total impact of these processes in foodstuff. In this study, molecular …
important to assess the total impact of these processes in foodstuff. In this study, molecular …
Structural basis of SARS-CoV-2 spike protein induced by ACE2
Motivation The recent emergence of the novel SARS-coronavirus 2 (SARS-CoV-2) and its
international spread pose a global health emergency. The spike (S) glycoprotein binds …
international spread pose a global health emergency. The spike (S) glycoprotein binds …