Gaussian accelerated molecular dynamics: Principles and applications
Gaussian accelerated molecular dynamics (GaMD) is a robust computational method for
simultaneous unconstrained enhanced sampling and free energy calculations of …
simultaneous unconstrained enhanced sampling and free energy calculations of …
Microscale thermophoresis as a powerful growing analytical technique for the investigation of biomolecular interaction and the determination of binding parameters
The in vitro panel of technologies to address biomolecular interactions are in play, however
microscale thermophoresis is continuously increasing in use to represent a key player in this …
microscale thermophoresis is continuously increasing in use to represent a key player in this …
The NEK family of serine/threonine kinases as a biomarker for cancer
NK Panchal, S Evan Prince - Clinical and Experimental Medicine, 2023 - Springer
Cancer is defined by unrestrained cell proliferation due to impaired protein activity. Cell
cycle-related proteins are likely to play a role in human cancers, including proliferation …
cycle-related proteins are likely to play a role in human cancers, including proliferation …
Structural insights into the respiratory syncytial virus RNA synthesis complexes
RNA synthesis in respiratory syncytial virus (RSV), a negative-sense (−) nonsegmented
RNA virus, consists of viral gene transcription and genome replication. Gene transcription …
RNA virus, consists of viral gene transcription and genome replication. Gene transcription …
Flexible Gaussian Accelerated Molecular Dynamics to Enhance Biological Sampling
O Gracia Carmona, C Oostenbrink - Journal of Chemical Theory …, 2023 - ACS Publications
Molecular dynamics simulations often struggle to obtain sufficient sampling to study complex
molecular events due to high energy barriers separating the minima of interest. Multiple …
molecular events due to high energy barriers separating the minima of interest. Multiple …
Sigmoid accelerated molecular dynamics: An efficient enhanced sampling method for biosystems
Gaussian accelerated molecular dynamics (GaMD) is recognized as a popular enhanced
sampling method for tackling long-standing challenges in biomolecular simulations. Inspired …
sampling method for tackling long-standing challenges in biomolecular simulations. Inspired …
Mechanism of RNA recognition by a Musashi RNA-binding protein
The Musashi RNA-binding proteins (RBPs) regulate translation of target mRNAs and
maintenance of cell stemness and tumorigenesis. Musashi-1 (MSI1), long considered as an …
maintenance of cell stemness and tumorigenesis. Musashi-1 (MSI1), long considered as an …
Binding analysis using accelerated molecular dynamics simulations and future perspectives
Biomolecular recognition such as binding of small molecules, nucleic acids, peptides and
proteins to their target receptors plays key roles in cellular function and has been targeted …
proteins to their target receptors plays key roles in cellular function and has been targeted …
Hardening of respiratory syncytial virus inclusion bodies by cyclopamine proceeds through perturbation of the interactions of the M2-1 protein with RNA and the P …
C Diot, CA Richard, J Risso-Ballester, D Martin… - International Journal of …, 2023 - mdpi.com
Respiratory syncytial virus (RSV) RNA synthesis takes place in cytoplasmic viral factories
also called inclusion bodies (IBs), which are membrane-less organelles concentrating the …
also called inclusion bodies (IBs), which are membrane-less organelles concentrating the …
Respiratory syncytial virus M2-1 protein associates non-specifically with viral messenger RNA and with specific cellular messenger RNA transcripts
MR Braun, SL Noton, EL Blanchard, A Shareef… - PLoS …, 2021 - journals.plos.org
Respiratory syncytial virus (RSV) is a major cause of respiratory disease in infants and the
elderly. RSV is a non-segmented negative strand RNA virus. The viral M2-1 protein plays a …
elderly. RSV is a non-segmented negative strand RNA virus. The viral M2-1 protein plays a …