|
9
|
|
AIMNet2-rxn: A machine-learned potential for generalized reaction modeling on a millions-of-pathways scale.
(science.org)
|
Anstine DM
…
Isayev O
Science Advances
2026-10-07
|
#machine learning
#computational chemistry
#simulation
#reaction-modeling
|
|
8
|
|
AutoHMD: Scalable and Accurate Validation of Antibody-Antigen Complexes by Heated Molecular Dynamics.
(academic.oup.com)
|
Souza JS
…
Silva JHM
Bioinformatics
2026-10-09
|
#simulation
#docking
#immunology
#protein structure
#validation
|
|
6
|
|
Geometric criterion for capillary thread breakup in rectangular microchannels.
(pnas.org)
|
He L
…
Chen X
PNAS
2026-10-07
|
#microfluidics
#capillarity
#emulsion
#simulation
|
|
6
|
|
Bioinspired negative-curvature monomer architecture accelerates on-surface topochemical polymerization.
(pnas.org)
|
Hossain MI
…
Claridge SA
PNAS
2026-10-07
|
#polymerization
#photochemistry
#surface chemistry
#phospholipids
#simulation
|
|
4
|
|
Near-atomistic simulations reveal the molecular principles that control chromatin structure and phase separation.
(nature.com)
|
Russell K
…
Collepardo-Guevara R
Nature Communications
2026-10-03
|
#chromatin
#simulation
#histone
#phase separation
#biophysics
|
|
3
|
|
RandomReadsMG: Rapid, realistic metagenome simulation at terabase scale for benchmarking and experimental design.
(linkinghub.elsevier.com)
|
Bushnell B
…
Villada JC
Cell Genomics
2026-10-05
|
#metagenomics
#sequencing
#simulation
#bioinformatics
#benchmarking
|
|
3
|
|
DyME: An MD-based engine exploiting HTP mutagenesis for protein engineering and recognition mimicry.
(journals.plos.org)
|
Guillem-Gloria PM
…
Pisabarro MT
PLOS Computational Biology
2026-10-07
|
#mutagenesis
#simulation
#protein design
#binding
#computational
|
|
2
|
|
Characterizing the detectable and invisible fractions of genomic loci under balancing selection.
(academic.oup.com)
|
Brandt DYC
…
Reuter M
Molecular Biology and Evolution
2026-10-03
|
#balancing selection
#genetics
#simulation
#polymorphism
#genomics
|
|
2
|
|
Role of desolvation on biomolecular liquid-liquid phase separation.
(elifesciences.org)
|
Zhang K
…
Wang W
eLife
2026-10-09
|
#phase separation
#desolvation
#condensates
#simulation
#intrinsically disordered proteins
|
|
1
|
|
Multiband topological heterojunctions on the surface nanoscale axial photonics platform.
(nature.com)
|
Fried N
…
Dutt A
Nature Communications
2026-09-29
|
#topology
#photonics
#microresonators
#simulation
|
|
1
|
|
OmeSim: a genetics-based nonlinear simulator for in-between-ome and phenotype.
(academic.oup.com)
|
Li C
…
Zhang Q
Genetics
2026-10-03
|
#transcriptomics
#simulation
#multi-omics
#genotype-phenotype
#association-mapping
|
|
0
|
|
Process bigraphs and the architecture of compositional systems biology.
(journals.plos.org)
|
Agmon E
…
Spangler RK
PLOS Computational Biology
2026-10-01
|
#modeling
#simulation
#systems biology
#multiscale
#microbiome
|