Implementation of The Future of Drug Discovery: QuantumBased Machine Learning Simulation (QMLS)

Y Zhou, YS Liang, YK Wong, H Qiu, YX Wu… - arXiv preprint arXiv …, 2023 - arxiv.org
The Research & Development (R&D) phase of drug development is a lengthy and costly
process. To revolutionize this process, we introduce our new concept QMLS to shorten the …

Structural basis for assembly of non-canonical small subunits into type IC Cascade

RE O'Brien, IC Santos, D Wrapp, JPK Bravo… - Nature …, 2020 - nature.com
Bacteria and archaea employ CRISPR (clustered, regularly, interspaced, short palindromic
repeats)-Cas (CRISPR-associated) systems as a type of adaptive immunity to target and …

Understanding Supramolecular Assembly of Supercharged Proteins

MI Jacobs, P Bansal, D Shukla… - ACS Central …, 2022 - ACS Publications
Ordered supramolecular assemblies have recently been created using electrostatic
interactions between oppositely charged proteins. Despite recent progress, the fundamental …

Structural biology in the multi-omics era

CL McCafferty, EJ Verbeke, EM Marcotte… - Journal of Chemical …, 2020 - ACS Publications
Rapid developments in cryogenic electron microscopy have opened new avenues to probe
the structures of protein assemblies in their near native states. Recent studies have begun …

Ordered Motions in the Nitric-Oxide Dioxygenase Mechanism of Flavohemoglobin and Assorted Globins with Tightly Coupled Reductases

PR Gardner - Protein Reviews: Volume 23, 2022 - Springer
Nitric-oxide dioxygenases (NODs) activate and combine O2 with NO to form nitrate. A variety
of oxygen-binding hemoglobins with associated partner reductases or electron donors …

Geometry-Based Deep Learning in the Natural Sciences

R Friedman - Encyclopedia, 2023 - mdpi.com
Definition Nature is composed of elements at various spatial scales, ranging from the atomic
to the astronomical level. In general, human sensory experience is limited to the mid-range …

The role of complementary shape in protein dimerization

F Gao, J Glaser, SC Glotzer - Soft Matter, 2021 - pubs.rsc.org
Shape guides colloidal nanoparticles to form complex assemblies, but its role in defining
interfaces in biomolecular complexes is less clear. In this work, we isolate the role of shape …

[图书][B] The π-Helix in FMN-Dependent Reductases Promotes Oligomeric Changes to Coordinate the Mechanisms of the Alkanesulfonate Monooxygenase Systems

CH Aloh - 2023 - search.proquest.com
Bacteria two-component flavin-dependent systems are upregulated for sulfur acquisition
under sulfur limiting conditions. Two-component flavin-dependent systems are comprised of …

Análisis in sílico del complejo ligando-receptor de GPR55, su implicación en el globo pálido externo y las conductas motoras de ratas hemiparkinsonianas

F Patricio Martínez - repositorioinstitucional.buap.mx
Abstract “Se ha demostrado que el cannabidiol tiene propiedades antiparkinsonianas y
efectos neuromoduladores a nivel del SNC, posiblemente debido a la actividad pleiotrópica …