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Biophysical simulations

Unveiling Cathepsin B inhibition with repurposed drugs for anticancer and anti-Alzheimer’s drug discovery

Mohammed Alrouji, Sabina Yasmin, [ ... ], Anas Shamsi

Does joint impedance improve dynamic leg simulations with explicit and implicit solvers?

Serhii Bahdasariants, Ana Maria Forti Barela, [ ... ], Sergiy Yakovenko

Cooperation in the face of disaster

Marijane Luistro Jonsson, Markus Jonsson

Islands of cooperation emerge by stigmergic interactions in iterated spatial games

Franco Zambonelli, Federico Bergenti, Stefano Mariani, Stefania Monica

SMND-309 activates Nrf2 signaling to alleviate acetaminophen-induced hepatotoxicity and oxidative stress

Yao Dong, Ru Jia, [ ... ], Na Li

Consensus structure prediction of A. thaliana’s MCTP4 structure using prediction tools and coarse grained simulations of transmembrane domain dynamics

Sujith Sritharan, Raphaelle Versini, [ ... ], Antoine Taly

Structure-based identification of bioactive compounds as trace amine-associated receptor 1 agonists for the therapeutic management of major depressive disorder

Abdelbaset Mohamed Elasbali, Ahmed S. Ali, [ ... ], Md. Imtaiyaz Hassan

Coarse-grained molecular dynamics investigation on the interaction between κ- and β-casein aggregates and curcumin

Jian Gao, Rong Dong, [ ... ], Ye-Wang Zhang

Comparison of SPH and CEL methods for simulating the soil cutting process of a biomimetic digging shovel

Yunning Dong, Liangfei Fang, [ ... ], Yue Gong

Development and validation of mass reduction prediction model during torrefaction using biomass chemical composition analysis

Sunyong Park, Kyeong Sik Kang, [ ... ], DaeHyun Kim

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