Results 181 to 190 of about 114,349,436 (308)

In silico prediction of bioequivalence of atorvastatin tablets based on GastroPlus™ software. [PDF]

BMC Pharmacol Toxicol, 2023
Wang L, Chen J, Chen W, Ruan Z, Lou H, Yang D, Jiang B.   +6 more
europepmc   +1 more source

Machine Learning‐Driven Design of Multicomponent Bone Inorganic Matrix Mimicking Scaffolds for Osteogenesis Enhanced by Neurogenesis

Advanced Science, EarlyView.
Schematic illustration of development of experimental datasets and algorithm models, screening and preparation of the scaffolds and their applications in vivo. ABSTRACT Bone defects require materials with osteogenic, neurogenic, and angiogenic activity, yet designing such materials within high‐dimensional compositional spaces remains challenging. Here,
Kunlu Lin, Ying Yang, Chuyao Zhou, Hanyue Mao, Zhiquan Zhang, Libangxi Liu, Xiaoying Yu, Haoming Liu, Long Liu, Xiaoyan Wang   +9 more
wiley   +1 more source

Anticancer Effects of Withanolides: In Silico Prediction of Pharmacological Properties. [PDF]

Molecules
Silva GWSE, Marques AM, Sampaio ALF.
europepmc   +1 more source

Toward Material‐Specific Peptides From in Silico Guided Peptide Engineering to Target PET in the Presence of PS

Advanced Science, EarlyView.
This work presents a computational–experimental strategy to engineer material‐binding peptides toward polymer specificity. Molecular dynamics simulations identified residues driving polystyrene binding, enabling targeted substitutions that greatly reduced polystyrene affinity while preserving PET binding.
Julian Luka, Marian Bienstein, Jonas Berger, Ulrich Schwaneberg   +3 more
wiley   +1 more source

3D analysis of catalytic differences of hydrolases by integrating modelling and mutivariate statistics

, 2012
EBERT, CYNTHIA, FOSCATO, MARCO, GARDOSSI, Lucia, FERRARIO, VALERIO, Svendsen, A., KNAPIC, Lorena, Besenmatter, W.   +6 more
core  

In Silico Prediction for Regulation of Transcription Factors onTheir Shared Target Genes Indicates Relevant Clinical Implications in a Breast Cancer Population

Cancer Informatics, 2012
Fon-Jou Hsieh, King-Jen Chang, Ming-Kwang Shyu, Hsiao-Lin Hwa, Wen-Hung Kuo, Li-Yun Chang, Li-Yu D Liu   +6 more
doaj  

In-silico prediction of multi‑target mechanisms of Pinellia ternata phytochemicals in lung cancer: Evidence from a graph‑attention‑guided virtual screening and multi‑scale simulations. [PDF]

PLoS One
Bian G, Zhang Y, Shen Y, Xiao P, Zhang D, Xie J, Li X, Chen D, Hu K, Hu C.   +9 more
europepmc   +1 more source

EP300‐Mediated MTF1‐K218 Lactylation Buffers AR‐Driven Copper Overload to Suppress Cuproptosis in Castration‐Resistant Prostate Cancer

Advanced Science, EarlyView.
Androgen receptor (AR) drives copper accumulation in prostate cancer while inducing MTF1 to buffer copper toxicity. EP300‐mediated lactylation of MTF1 at K218 promotes its nuclear translocation and metallothionein expression, sequestering cytosolic copper and preventing mitochondrial cuproptosis.
Kai Li, Yong Wei, Yongshan Li, Yuxiang Dong, Jiancheng Lv, Mingzhi Yuan, Ao Shen, Fuyang Liu, Yetao Zhang, Youjian Li, Ruixi Yu, Yang Liu, Tong Zhao, Jun Wang, Kai Zhou, Zongyao Fan, Manning Wang, Jun Xu, Mulong Du, Min Gu, Bing Yao, Qingyi Zhu   +21 more
wiley   +1 more source

Conformational changes of lipases: a comparative study and experimental implications

, 2012
EBERT, CYNTHIA, FATTOR, DIANA, FOSCATO, MARCO, GARDOSSI, Lucia, FERRARIO, VALERIO, KNAPIC, Lorena   +5 more
core  

Endothelial miR‐15a/16‐1 Regulation of SYNE1 Mediates Structural and Functional Recovery after Traumatic Brain Injury

Advanced Science, EarlyView.
Endothelial miR‐15a/16‐1 deletion promotes long‐term recovery after traumatic brain injury by restoring SYNE1 expression. Enhanced endothelial SYNE1 preserves vascular integrity, protects white and gray matter, and improves neurological function. The endothelial miR‐15a/16‐1–SYNE1 axis emerges as a key regulator of neurovascular repair and a potential ...
Shun Li, Na Qiu, Chao Zhou, Andrew Ni, Ping Sun, Jia‐Jun Liu, Xin‐Lei Huang, Tian‐Qing Xiong, Yu‐Chi Zhang, Hai‐Zhou Liu, Xiao‐Tao Xu, Rui Wang, Shi‐Qing Zhang, Yu‐Xin Zhang, Silvia Liu, C. Edward Dixon, Jun Chen, Ke‐Jie Yin   +17 more
wiley   +1 more source