Molecular dynamics simulation for all
The impact of molecular dynamics (MD) simulations in molecular biology and drug discovery
has expanded dramatically in recent years. These simulations capture the behavior of …
has expanded dramatically in recent years. These simulations capture the behavior of …
RNA structural dynamics as captured by molecular simulations: a comprehensive overview
With both catalytic and genetic functions, ribonucleic acid (RNA) is perhaps the most
pluripotent chemical species in molecular biology, and its functions are intimately linked to …
pluripotent chemical species in molecular biology, and its functions are intimately linked to …
UCSF ChimeraX: Structure visualization for researchers, educators, and developers
EF Pettersen, TD Goddard, CC Huang… - Protein …, 2021 - Wiley Online Library
UCSF ChimeraX is the next‐generation interactive visualization program from the Resource
for Biocomputing, Visualization, and Informatics (RBVI), following UCSF Chimera. ChimeraX …
for Biocomputing, Visualization, and Informatics (RBVI), following UCSF Chimera. ChimeraX …
[HTML][HTML] Scalable molecular dynamics on CPU and GPU architectures with NAMD
NAMD is a molecular dynamics program designed for high-performance simulations of very
large biological objects on CPU-and GPU-based architectures. NAMD offers scalable …
large biological objects on CPU-and GPU-based architectures. NAMD offers scalable …
A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2
X Chi, R Yan, J Zhang, G Zhang, Y Zhang, M Hao… - Science, 2020 - science.org
Develo** therapeutics against severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2) could be guided by the distribution of epitopes, not only on the receptor binding …
CoV-2) could be guided by the distribution of epitopes, not only on the receptor binding …
ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome
Vaccines derived from chimpanzee adenovirus Y25 (ChAdOx1), human adenovirus type 26
(HAdV-D26), and human adenovirus type 5 (HAdV-C5) are critical in combatting the severe …
(HAdV-D26), and human adenovirus type 5 (HAdV-C5) are critical in combatting the severe …
Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2
Angiotensin-converting enzyme 2 (ACE2) is the cellular receptor for severe acute respiratory
syndrome–coronavirus (SARS-CoV) and the new coronavirus (SARS-CoV-2) that is causing …
syndrome–coronavirus (SARS-CoV) and the new coronavirus (SARS-CoV-2) that is causing …
In situ architecture of the ER–mitochondria encounter structure
The endoplasmic reticulum and mitochondria are main hubs of eukaryotic membrane
biogenesis that rely on lipid exchange via membrane contact sites,–, but the underpinning …
biogenesis that rely on lipid exchange via membrane contact sites,–, but the underpinning …
[PDF][PDF] ISOLDE: a physically realistic environment for model building into low-resolution electron-density maps
TI Croll - Acta Crystallographica Section D: Structural Biology, 2018 - journals.iucr.org
This paper introduces ISOLDE, a new software package designed to provide an intuitive
environment for high-fidelity interactive remodelling/refinement of macromolecular models …
environment for high-fidelity interactive remodelling/refinement of macromolecular models …
Structures and mechanism of the plant PIN-FORMED auxin transporter
KL Ung, M Winkler, L Schulz, M Kolb, DP Janacek… - Nature, 2022 - nature.com
Auxins are hormones that have central roles and control nearly all aspects of growth and
development in plants,–. The proteins in the PIN-FORMED (PIN) family (also known as the …
development in plants,–. The proteins in the PIN-FORMED (PIN) family (also known as the …