Results 201 to 210 of about 2,036,207 (293)

Benchmarking the Ligand-HER2 Interactions Using Machine Learning and Molecular Dynamics Simulations. [PDF]

ACS Omega
Truong DT, Dao QT, Tran TTM, Nguyen NH, Nguyen-Thao MK, Nam NH, Do TMD, Nguyen MT.   +7 more
europepmc   +1 more source

Blood‐based proteomic profiling reveals context‐dependent changes in BCL2‐associated signaling during taxane therapy in breast cancer patients

FEBS Open Bio, EarlyView.
Chemotherapy side effects significantly impact cancer survivors' quality of life. Using protein levels in blood samples from breast cancer patients before and after 12 weeks of taxane treatment, we detected treatment‐dependent changes in calcium signaling and aging pathways associated with cancer recurrence.
Saira Munshani, Eiman Y. Ibrahim, Rozalyn L. Rodwin, Leah M. Ferrucci, Kim Blenman, Maryam Lustberg, Barbara E. Ehrlich   +6 more
wiley   +1 more source

MINT32: A Minimum-Image INT32 Coordinate Representation for Fast and Accurate Molecular Dynamics on GPUs. [PDF]

J Chem Inf Model
Lee TS.
europepmc   +1 more source

Long‐term hippocampal alterations and cognitive impairment in a murine model of surgical sepsis

FEBS Open Bio, EarlyView.
Using a mouse model of surgical sepsis, we tested long‐term memory and analyzed the transcriptome of single cells isolated from the hippocampus. Survivor mice showed worse memory, loss of certain brain cell subpopulations, and abnormal immune cell activity—suggesting that post‐sepsis brain alterations may be linked to cognitive deficits.
Dong Seong Cho, Rebecca Schmitt, Aneesha Dasgupta, Alexandra Ducharme, Jason Doles   +4 more
wiley   +1 more source

A molecular dynamics study of the structure and dynamics of screened polyelectrolyte complex materials. [PDF]

Soft Matter
van Lange SGM, Vengallur N, Giuntoli A, van der Gucht J.   +3 more
europepmc   +1 more source

YIPFα1A expression is regulated by multilayered molecular mechanisms

FEBS Open Bio, EarlyView.
YIPFα1A, a five‐pass Golgi protein, is regulated at multiple layers. (1) Rare‐codon enrichment drives translation‐coupled mRNA decay. (2) A proximal 3′‐UTR element stabilizes mRNA. (3) A distal 3′‐UTR element included by alternate poly(A) site usage represses translation, which can be overridden by the proximal 3′‐UTR element.
Tokio Takaji, Yurika Nakanishi, Nobuhiro Nakamura   +2 more
wiley   +1 more source

multiSMD - A Python Toolset for Multidirectional Steered Molecular Dynamics. [PDF]

J Chem Inf Model
Walczewska-Szewc K, Niklas B, Szewc K, Nowak W.   +3 more
europepmc   +1 more source

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

Molecular Dynamics Insights into the Biodegradation of Synthetic Polymers by <i>Moniliophthora roreri</i> Cutinases. [PDF]

J Chem Inf Model
Damasceno de Oliveira MV, Calandrini G, da Silva de Souza CG, da Costa CHS, Skaf MS, Lameira J.   +5 more
europepmc   +1 more source