Zobrazeno 1 - 10
of 622 065
pro vyhledávání: '"CONFORMATIONS"'
Autor:
Alan E. Tonelli, Jialong Shen
Among the materials found in Nature's many diverse living organisms or produced by human industry, those made from polymers are dominant. In Nature, they are not only dominant, but they are, as well, uniquely necessary to life. Conformations: Connect
Molecular conformation generation poses a significant challenge in the field of computational chemistry. Recently, Diffusion Probabilistic Models (DPMs) and Score-Based Generative Models (SGMs) are effectively used due to their capacity for generatin
Externí odkaz:
http://arxiv.org/abs/2409.14014
Autor:
Viswanath, Siddharth, Bhaskar, Dhananjay, Johnson, David R., Rocha, Joao Felipe, Castro, Egbert, Grady, Jackson D., Grigas, Alex T., Perlmutter, Michael A., O'Hern, Corey S., Krishnaswamy, Smita
Understanding the dynamic nature of protein structures is essential for comprehending their biological functions. While significant progress has been made in predicting static folded structures, modeling protein motions on microsecond to millisecond
Externí odkaz:
http://arxiv.org/abs/2410.20317
Autor:
Garg, Hitesh, Vemparala, Satyavani
Extensive molecular dynamics simulations were conducted to explore the conformational phase diagram of a neutral polymer in the presence of attractive crowders of varying sizes. For weakly self-attractive polymers, larger crowders induce a transition
Externí odkaz:
http://arxiv.org/abs/2410.04113
We address recovery of the three-dimensional backbone structure of single polypeptide proteins from single-particle cryo-electron microscopy (Cryo-SPA) data. Cryo-SPA produces noisy tomographic projections of electrostatic potentials of macromolecule
Externí odkaz:
http://arxiv.org/abs/2410.00833
Autor:
Majumder, Suman, Paul, Subhajit
Heterogeneous distribution of passive and active domains in the chromosome plays a crucial role for its dynamic organization within the cell nucleus. Motivated by that here we investigate the steady-state conformation and dynamics of a model active-b
Externí odkaz:
http://arxiv.org/abs/2409.17585
Autor:
Wang, Mengru1 (AUTHOR) mrwang0319@163.com, Fu, Xulei1 (AUTHOR) 15128077927@163.com, Du, Limin1 (AUTHOR) dminmin99@163.com, Shi, Fan1 (AUTHOR) shi008769@gs.zzu.edu.cn, Huang, Zichong2 (AUTHOR) hzc2456048517@gs.zzu.edu.cn, Yang, Linlin1 (AUTHOR) yanglin-89@zzu.edu.cn
Publikováno v:
International Journal of Molecular Sciences. Aug2024, Vol. 25 Issue 15, p8389. 19p.
Autor:
Wu, Jingnan1,2 (AUTHOR), Sun, Fengbo3 (AUTHOR), Wang, Xunchang3 (AUTHOR), Chen, Qiaonan1 (AUTHOR), Franco, Leandro R.4 (AUTHOR), Zheng, Xufan3 (AUTHOR), Araujo, C. Moyses4,5 (AUTHOR), Yang, Renqiang3 (AUTHOR) yangrq@jhun.edu.cn, Yu, Donghong2,6 (AUTHOR) yu@bio.aau.dk, Wang, Ergang1 (AUTHOR) ergang@chalmers.se
Publikováno v:
Advanced Science. 10/28/2024, Vol. 11 Issue 40, p1-10. 10p.
Autor:
Lacombe, Romain, Vaidya, Neal
Recent advances in fast sampling methods for diffusion models have demonstrated significant potential to accelerate generation on image modalities. We apply these methods to 3-dimensional molecular conformations by building on the recently introduced
Externí odkaz:
http://arxiv.org/abs/2404.13491