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NetSci: A Library for High Performance Biomolecular Simulation Network Analysis Computation.
J Chem Inf Model. 2024 Oct 28;64(20):7966-7976. doi: 10.1021/acs.jcim.4c00899. Epub 2024 Oct 4.
J Chem Inf Model. 2024.
PMID: 39364881
SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine.
Votapka LW, Stokely AM, Ojha AA, Amaro RE.
Votapka LW, et al. Among authors: stokely am.
J Chem Inf Model. 2022 Jul 11;62(13):3253-3262. doi: 10.1021/acs.jcim.2c00501. Epub 2022 Jun 27.
J Chem Inf Model. 2022.
PMID: 35759413
Free PMC article.
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