Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics.
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics. J Chem Phys. 2025 Jan 28; 162(4).
PMID: 39873278
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics.
Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics. ArXiv. 2024 Dec 31.
PMID: 39801625
Temperature-dependent fold-switching mechanism of the circadian clock protein KaiB.
Temperature-dependent fold-switching mechanism of the circadian clock protein KaiB. Proc Natl Acad Sci U S A. 2024 Dec 17; 121(51):e2412327121.
PMID: 39671178
Analysis of the Dynamics of a Complex, Multipathway Reaction: Insulin Dimer Dissociation.
Analysis of the Dynamics of a Complex, Multipathway Reaction: Insulin Dimer Dissociation. J Phys Chem B. 2024 Dec 26; 128(51):12728-12740.
PMID: 39670451
Fishnet mesh of centrin-Sfi1 drives ultrafast calcium-activated contraction of the giant cell Spirostomum ambiguum.
Fishnet mesh of centrin-Sfi1 drives ultrafast calcium-activated contraction of the giant cell Spirostomum ambiguum. bioRxiv. 2024 Nov 08.
PMID: 39574644
Analysis of the dynamics of a complex, multipathway reaction: Insulin dimer dissociation.
Analysis of the dynamics of a complex, multipathway reaction: Insulin dimer dissociation. bioRxiv. 2024 Oct 14.
PMID: 39416150
Chronic infections can generate SARS-CoV-2-like bursts of viral evolution without epistasis.
Chronic infections can generate SARS-CoV-2-like bursts of viral evolution without epistasis. bioRxiv. 2024 Oct 07.
PMID: 39416020
Limits on the computational expressivity of non-equilibrium biophysical processes.
Limits on the computational expressivity of non-equilibrium biophysical processes. ArXiv. 2024 Sep 09.
PMID: 39314507
BAD-NEUS: Rapidly converging trajectory stratification.
BAD-NEUS: Rapidly converging trajectory stratification. J Chem Phys. 2024 Aug 28; 161(8).
PMID: 39185846
Temperature-Dependent Fold-Switching Mechanism of the Circadian Clock Protein KaiB.
Temperature-Dependent Fold-Switching Mechanism of the Circadian Clock Protein KaiB. bioRxiv. 2024 May 21.
PMID: 38826295