Understanding G protein selectivity of muscarinic acetylcholine receptors using computational methods
LJ Santiago, R Abrol - International journal of molecular sciences, 2019 - mdpi.com
The neurotransmitter molecule acetylcholine is capable of activating five muscarinic
acetylcholine receptors, M1 through M5, which belong to the superfamily of G-protein …
acetylcholine receptors, M1 through M5, which belong to the superfamily of G-protein …
Host cell glycocalyx remodeling reveals SARS-CoV-2 spike protein glycomic binding sites
Glycans on the host cell membrane and viral proteins play critical roles in pathogenesis.
Highly glycosylated epithelial cells represent the primary boundary separating embedded …
Highly glycosylated epithelial cells represent the primary boundary separating embedded …
Reverse engineering approach: a step towards a new era of vaccinology with special reference to Salmonella
Introduction Salmonella is responsible for causing enteric fever, septicemia, and
gastroenteritis in humans. Due to high disease burden and emergence of multi-and …
gastroenteritis in humans. Due to high disease burden and emergence of multi-and …
The transport pathway in the ABCG2 protein and its regulation revealed by molecular dynamics simulations
T Nagy, Á Tóth, Á Telbisz, B Sarkadi, H Tordai… - Cellular and Molecular …, 2021 - Springer
Atomic-level structural insight on the human ABCG2 membrane protein, a pharmacologically
important transporter, has been recently revealed by several key papers. In spite of the …
important transporter, has been recently revealed by several key papers. In spite of the …
Interaction of Spike protein and lipid membrane of SARS-CoV-2 with Ursodeoxycholic acid, an in-silico analysis
FJ Rodal Canales, L Pérez-Campos Mayoral… - Scientific Reports, 2021 - nature.com
Numerous repositioned drugs have been sought to decrease the severity of SARS-CoV-2
infection. It is known that among its physicochemical properties, Ursodeoxycholic Acid …
infection. It is known that among its physicochemical properties, Ursodeoxycholic Acid …
CHARMM‐GUI DEER facilitator for spin‐pair distance distribution calculations and preparation of restrained‐ensemble molecular dynamics simulations
The double electron–electron resonance (DEER) is a powerful structural biology technique
to obtain distance information in the range of 18 to 80 å by measuring the dipolar coupling …
to obtain distance information in the range of 18 to 80 å by measuring the dipolar coupling …
BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations
Abstract We present BioExcel Building Blocks Workflows, a web-based graphical user
interface (GUI) offering access to a collection of transversal pre-configured biomolecular …
interface (GUI) offering access to a collection of transversal pre-configured biomolecular …
Impact of subtype C-specific amino acid variants on HIV-1 Tat-TAR interaction: insights from molecular modelling and dynamics
PT Gotora, K Brown, DR Martin, R van der Sluis… - Virology Journal, 2024 - Springer
Background HIV-1 produces Tat, a crucial protein for transcription, viral replication, and CNS
neurotoxicity. Tat interacts with TAR, enhancing HIV reverse transcription. Subtype C Tat …
neurotoxicity. Tat interacts with TAR, enhancing HIV reverse transcription. Subtype C Tat …
Solution structures of human myeloma IgG3 antibody reveal extended Fab and Fc regions relative to the other IgG subclasses
VA Spiteri, M Goodall, J Doutch, RP Rambo… - Journal of Biological …, 2021 - ASBMB
Human immunoglobulin G subclass 3 (IgG3) possesses a uniquely long hinge region that
separates its Fab antigen-binding and Fc receptor-binding regions. Owing to this hinge …
separates its Fab antigen-binding and Fc receptor-binding regions. Owing to this hinge …
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 …