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11
|
|
Mercury's crustal magnetization indicates a stronger ancient dynamo.
(pnas.org)
|
Narrett IS
…
Biersteker JB
PNAS
2026-08-25
|
#magnetism
#dynamo
#planetary
#simulation
|
|
11
|
|
On the origin of the ionic strength control of the motility of kinesin-14.
(pnas.org)
|
Halder R
…
Warshel A
PNAS
2026-08-25
|
#simulation
#kinesin
#protein-mechanics
#binding kinetics
|
|
5
|
|
Microstructural insights into fast ion transport in solid electrolytes via multiscale modeling.
(nature.com)
|
Ou Y
…
Grabowski B
Nature Communications
2026-08-20
|
#modeling
#electrolytes
#batteries
#simulation
#transport
|
|
5
|
|
Atomic structure and plasticity of the CTX-MthK complex investigated by cryo-EM, NMR, and MD simulations.
(nature.com)
|
Qoraj D
…
Lange A
Nature Communications
2026-08-20
|
#cryo-em
#toxins
#ion channel
#nmr
#simulation
|
|
2
|
|
Numerical investigation of the equilibrium Kauzmann transition in a two-dimensional atomistic glass.
(pnas.org)
|
Jung G
…
Berthier L
PNAS
2026-08-19
|
#glass
#phase-transition
#simulation
#thermodynamics
|
|
2
|
|
Insights into human TLR9 structural dynamics and recognition of pathogen-associated CpG DNA using molecular dynamics simulation.
(linkinghub.elsevier.com)
|
Sasidharan S
…
Shin D
iScience
2026-08-21
|
#immunology
#simulation
#protein structure
#pattern-recognition
|
|
1
|
|
How to build an AI-driven digital organism.
(nature.com)
|
Song L
…
Xing E
Nature Medicine
2026-08-13
|
#modeling
#simulation
#ai
#systems biology
|
|
1
|
|
Coreless exoplanets induced by metal-silicate miscibility.
(pnas.org)
|
Luo H
…
Deng J
PNAS
2026-08-17
|
#exoplanets
#thermodynamics
#simulation
#phase-behavior
|
|
1
|
|
A flat-band perspective on the boson peak in amorphous solids.
(pnas.org)
|
Mahajan S
…
Baggioli M
PNAS
2026-08-17
|
#amorphous
#phonons
#simulation
#spectroscopy
|
|
1
|
|
Can intrinsic loop energetics predict G-Quadruplex topology?
(journals.plos.org)
|
Jurkowski M
…
Czub J
PLOS Computational Biology
2026-08-18
|
#g-quadruplex
#simulation
#dna structure
#folding
#thermodynamics
|
|
0
|
|
Mechanistic insights into cooperative permeation of glycerol and water through human aquaporin-10.
(pnas.org)
|
Rai K
…
Joshi H
PNAS
2026-08-14
|
#aquaporins
#simulation
#membrane transport
#permeability
|
|
0
|
|
Structure and dynamics of confined water in amyloid protein fibril nanochannels.
(pnas.org)
|
Mon F
…
Straub JE
PNAS
2026-08-12
|
#amyloid
#simulation
#protein structure
#water
|
|
0
|
|
Cryptic small-molecule binding sites in the ARID1B DNA-binding domain.
(pnas.org)
|
Carbone CE
…
Holliday MJ
PNAS
2026-08-12
|
#drug discovery
#cancer
#protein structure
#simulation
#nmr
|
|
0
|
|
Collective posterior inference from highly variable empirical replicates.
(journals.plos.org)
|
Ben Nun N
…
Ram Y
PLOS Computational Biology
2026-08-11
|
#inference
#simulation
#computational
|
|
0
|
|
Modeling Dual-Range Atomic Interactions with Physicochemical Principles for Molecular Force Fields.
(academic.oup.com)
|
Wang H
…
Lin C
Bioinformatics
2026-08-08
|
#simulation
#force-fields
#machine learning
#computational chemistry
|
|
0
|
|
The rights and wrongs of rescaling in population genetics simulations.
(journals.plos.org)
|
Johri P
…
Charlesworth B
PLOS Genetics
2026-08-05
|
#population-genetics
#simulation
#recombination
#selection
|
|
0
|
|
Evaluating the applicability of replication success metrics in animal-to-human translation: A simulation study.
(elifesciences.org)
|
Huang CJ
…
Heyard R
eLife
2026-08-07
|
#reproducibility
#translation
#simulation
#meta-analysis
#preclinical
|
|
0
|
|
Evaluating the efficiency of platform trials relative to stand-alone trials: a simulation study for the evaluation of new antibacterials.
(academic.oup.com)
|
Hardy MJ
…
Paterson DL
Journal of Antimicrobial Chemotherapy
2026-08-04
|
#antibiotic
#amr
#clinical trial
#infection
#simulation
|
|
0
|
|
Mutation-driven alterations in the AcrB efflux pump modulate antibiotic resistance in Klebsiella pneumoniae.
(academic.oup.com)
|
Dinata R
…
Mandal SM
Journal of Antimicrobial Chemotherapy
2026-08-04
|
#amr
#simulation
#protein structure
|
|
0
|
|
Real-time GPU-accelerated coupled cardiac system: Integrating bidirectional interactions between living optogenetic monolayers and computational simulations.
(journals.plos.org)
|
Valibeigi Y
…
Bub G
PLOS Computational Biology
2026-08-03
|
#neuromodulation
#arrhythmias
#cardiac
#simulation
#bioengineering
|