[PDF][PDF] Molecular-replacement phasing using predicted protein structures from AWSEM-Suite

S Jin, MD Miller, M Chen, NP Schafer, X Lin, X Chen… - IUCrJ, 2020 - journals.iucr.org
The phase problem in X-ray crystallography arises from the fact that only the intensities, and
not the phases, of the diffracting electromagnetic waves are measured directly. Molecular …

Fibril surface-dependent amyloid precursors revealed by coarse-grained molecular dynamics simulation

YW Ma, TY Lin, MY Tsai - Frontiers in Molecular Biosciences, 2021 - frontiersin.org
Amyloid peptides are known to self-assemble into larger aggregates that are linked to the
pathogenesis of many neurodegenerative disorders. In contrast to primary nucleation, recent …

Modeling of supramolecular biopolymers: Leading the in silico revolution of tissue engineering and nanomedicine

F Fontana, F Gelain - Nanotechnology Reviews, 2022 - degruyter.com
The field of tissue engineering is poised to be positively influenced by the advent of
supramolecular biopolymers, because of their promising tailorability coming from the bottom …

Application of Computational Techniques in Antibody Fc-Fused Molecule Design for Therapeutics

CL Ng, TS Lim, YS Choong - Molecular Biotechnology, 2024 - Springer
Since the advent of hybridoma technology in the year 1975, it took a decade to witness the
first approved monoclonal antibody Orthoclone OKT39 (muromonab-CD3) in the year 1986 …

From discovery to production: challenges and novel methodologies for next generation biomanufacturing

W Xie, G Pedrielli - 2022 Winter Simulation Conference (WSC), 2022 - ieeexplore.ieee.org
The increasingly pressing demand of novel bio-drugs (eg, gene therapies) with
unprecedented levels of personalization, has put a remarkable pressure on the traditionally …

Structural proteomics

MK Gupta, G Gouda, S Sabarinathan, R Donde… - Bioinformatics in Rice …, 2021 - Springer
Structural proteomics identifies three-dimensional (3D) protein structures at an atomic
resolution on a genome-wide scale to better understand the interaction among protein …

Fermentative production of alternative antimicrobial peptides and enzymes

SY Lu, CD Skory, HA El Enshasy, S Liu - Biocatalysis and Agricultural …, 2021 - Elsevier
Conventional broad-spectrum antibiotics synthesized through microbial secondary
metabolism with non-degradable residues can often accumulate in the environments, lead …

Exploring Abeta42 Monomer Diffusive Dynamics on Fibril Surfaces through Molecular Simulations

YW Ma, GF Wang, MY Tsai - bioRxiv, 2024 - biorxiv.org
Alzheimer's disease is closely linked to the aggregation of Abeta42 peptides, which follow a
complex pathway involving primary nucleation and secondary processes. While previous …

[PDF][PDF] Hana Jaafari

P Wolynes - 2024 - repository.rice.edu
Proteins serve as the machinery for cellular function. Proteins and protein complexes help
cellular systems maintain homeostasis and respond to environmental cues. Proper protein …

[PDF][PDF] Modeling protein structural ensembles using AWSEM-Suite

J Tao, S Jin - 2023 - repository.rice.edu
Globular proteins are linear chains of amino acids that after adopting a dominant single
three-dimensional structure, are the driving forces behind most cellular processes. Proteins …