Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models
A historical perspective on the application of molecular dynamics (MD) to biological
macromolecules is presented. Recent developments combining state-of-the-art force fields with …
macromolecules is presented. Recent developments combining state-of-the-art force fields with …
Estimating kinetic parameters from dynamic contrast‐enhanced t1‐weighted MRI of a diffusable tracer: Standardized quantities and symbols
We describe a standard set of quantity names and symbols related to the estimation of kinetic
parameters from dynamic contrast‐enhanced T 1 ‐weighted magnetic resonance imaging …
parameters from dynamic contrast‐enhanced T 1 ‐weighted magnetic resonance imaging …
[HTML][HTML] Transcriptional regulation and its misregulation in disease
TI Lee, RA Young - Cell, 2013 - cell.com
The gene expression programs that establish and maintain specific cell states in humans
are controlled by thousands of transcription factors, cofactors, and chromatin regulators. …
are controlled by thousands of transcription factors, cofactors, and chromatin regulators. …
Extremely efficient flexible organic light-emitting diodes with modified graphene anode
… T.-HH designed and conducted most of the experiments, analysed the data and prepared …
T.-WL initiated the study, designed all the experiments, analysed the data and prepared the …
T.-WL initiated the study, designed all the experiments, analysed the data and prepared the …
On the opportunities and risks of foundation models
AI is undergoing a paradigm shift with the rise of models (eg, BERT, DALL-E, GPT-3) that are
trained on broad data at scale and are adaptable to a wide range of downstream tasks. We …
trained on broad data at scale and are adaptable to a wide range of downstream tasks. We …
[BOOK][B] Amber 2021
Amber is the collective name for a suite of programs that allow users to carry out molecular
dynamics simulations, particularly on biomolecules. None of the individual programs carries …
dynamics simulations, particularly on biomolecules. None of the individual programs carries …
[HTML][HTML] Control of developmental regulators by Polycomb in human embryonic stem cells
Polycomb group proteins are essential for early development in metazoans, but their
contributions to human development are not well understood. We have mapped the Polycomb …
contributions to human development are not well understood. We have mapped the Polycomb …
The worldwide leaf economics spectrum
Bringing together leaf trait data spanning 2,548 species and 175 sites we describe, for the
first time at global scale, a universal spectrum of leaf economics consisting of key chemical, …
first time at global scale, a universal spectrum of leaf economics consisting of key chemical, …
Antipsychotic drug doses and neuroleptic/dopamine receptors
P Seeman, T Lee, M Chau-Wong, K Wong - Nature, 1976 - nature.com
ANTIPSYCHOTIC drugs, or neuroleptics, are thought to act by blocking dopamine receptors
in the nervous system 1–4 . Recent direct evidence, based on stereospecific binding assays, …
in the nervous system 1–4 . Recent direct evidence, based on stereospecific binding assays, …
Conformal quantum dot–SnO2 layers as electron transporters for efficient perovskite solar cells
Improvements to perovskite solar cells (PSCs) have focused on increasing their power
conversion efficiency (PCE) and operational stability and maintaining high performance upon …
conversion efficiency (PCE) and operational stability and maintaining high performance upon …