Pragmatic coarse-graining of proteins: models and applications
The molecular details involved in the folding, dynamics, organization, and interaction of
proteins with other molecules are often difficult to assess by experimental techniques …
proteins with other molecules are often difficult to assess by experimental techniques …
Artificial intelligence in surveillance, diagnosis, drug discovery and vaccine development against COVID-19
As of August 6th, 2021, the World Health Organization has notified 200.8 million laboratory-
confirmed infections and 4.26 million deaths from COVID-19, making it the worst pandemic …
confirmed infections and 4.26 million deaths from COVID-19, making it the worst pandemic …
The SIRAH force field: a suite for simulations of complex biological systems at the coarse-grained and multiscale levels
The different combinations of molecular dynamics simulations with coarse-grained
representations have acquired considerable popularity among the scientific community …
representations have acquired considerable popularity among the scientific community …
Unravelling viral dynamics through molecular dynamics simulations-A brief overview
Viruses are a class of complex and dynamic macromolecular machines that can virtually
infect all known life forms in the biosphere. This remarkable complexity results from a unique …
infect all known life forms in the biosphere. This remarkable complexity results from a unique …
[HTML][HTML] Up state of the SARS-COV-2 spike homotrimer favors an increased virulence for new variants
CC Giron, A Laaksonen… - Frontiers in medical …, 2021 - frontiersin.org
The COVID-19 pandemic has spread worldwide. However, as soon as the first vaccines–the
only scientifically verified and efficient therapeutic option thus far–were released, mutations …
only scientifically verified and efficient therapeutic option thus far–were released, mutations …
Investigation of the structure of full-length tau proteins with coarse-grained and all-atom molecular dynamics simulations
Tau proteins not only have many important biological functions but also are associated with
several neurodegenerative diseases, such as Parkinson's disease and Alzheimer's disease …
several neurodegenerative diseases, such as Parkinson's disease and Alzheimer's disease …
Fighting viruses with computers, right now
MR Machado, S Pantano - Current Opinion in Virology, 2021 - Elsevier
The synergistic conjunction of various technological revolutions with the accumulated
knowledge and workflows is rapidly transforming several scientific fields. Particularly …
knowledge and workflows is rapidly transforming several scientific fields. Particularly …
Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication …
The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) replication
transcription complex (RTC) is a multi-domain protein responsible for replicating and …
transcription complex (RTC) is a multi-domain protein responsible for replicating and …
Intelligent resolution: Integrating cryo-em with ai-driven multi-resolution simulations to observe the sars-cov-2 replication-transcription machinery in action
The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) replication
transcription complex (RTC) is a multi-domain protein responsible for replicating and …
transcription complex (RTC) is a multi-domain protein responsible for replicating and …
Mutation in a sars-cov-2 haplotype from sub-antarctic chile reveals new insights into the spike's dynamics
J González-Puelma, J Aldridge, M Montes de Oca… - Viruses, 2021 - mdpi.com
The emergence of SARS-CoV-2 variants, as observed with the D614G spike protein mutant
and, more recently, with B. 1.1. 7 (501Y. V1), B. 1.351 (501Y. V2) and B. 1.1. 28.1 (P. 1) …
and, more recently, with B. 1.1. 7 (501Y. V1), B. 1.351 (501Y. V2) and B. 1.1. 28.1 (P. 1) …