Results 171 to 180 of about 19,081 (217)

Retraction Note: Propagation of wave insights to the Chiral Schrödinger equation along with bifurcation analysis and diverse optical soliton solutions. [PDF]

Sci Rep
Alkahtani BST.
europepmc   +1 more source

Investigating enzyme function by geometric matching of catalytic motifs

Protein Science, Volume 35, Issue 9, September 2026.
Abstract The rapidly growing universe of predicted protein structures offers opportunities for data driven exploration but requires computationally scalable and interpretable tools. We developed a method to detect catalytic features in protein structures, providing insights into enzyme function and mechanism.
Raymund E. Hackett, Ioannis G. Riziotis, Martin Larralde, António J. M. Ribeiro, Georg Zeller, Janet M. Thornton   +5 more
wiley   +1 more source

Spin Dynamics of Radical Pairs Using the Stochastic Schrödinger Equation in MolSpin. [PDF]

J Chem Theory Comput
Pažėra GJ, Fay TP, Solov'yov IA, Hore PJ, Gerhards L.   +4 more
europepmc   +1 more source

A cryptic allosteric pocket shapes isoform‐selective inhibition of human malic enzymes

Protein Science, Volume 35, Issue 9, September 2026.
Abstract Malic enzymes (ME) regulate central carbon metabolism and cellular redox balance, and the mitochondrial isoform ME2 is frequently upregulated in aggressive cancers to support metabolic flexibility and stress resistance. Isoform‐selective inhibition has remained out of reach because the catalytic machinery is essentially invariant across the ...
Ben A. Krinkel, Yuliana Yosaatmadja, Mark D. Slayton, Anita Krinkel, Jack Copping, Jin Heon Jeon, Joyce Eu, Kerslee Kohagen, Amir Ashoorzadeh, Jeff Smaill, Jack Flanagan, Christopher Walker, Sofia D. Merajver, Kerry Loomes, Christopher J. Squire   +14 more
wiley   +1 more source

A split-step finite element method for the space-fractional Schrödinger equation in two dimensions. [PDF]

Sci Rep
Zhu X, Wan H, Zhang Y.
europepmc   +1 more source

Donor‐induced conformational gating and substrate‐assisted catalysis in α‐1,3‐galactosyltransferase

Protein Science, Volume 35, Issue 9, September 2026.
Abstract Retaining glycosyltransferases catalyze the formation of stereochemically conserved glycosidic bonds through mechanisms that remain debated. Using bovine α1,3‐galactosyltransferase (α3GalT) as a model, we combine mutagenesis, equilibrium unfolding, kinetics, and molecular dynamics simulations to understand how donor‐induced loop ordering ...
Javier A. Linares‐Pastén, Antoni Planas   +1 more
wiley   +1 more source

Ab-initio variational wave functions for the time-dependent many-electron Schrödinger equation. [PDF]

Nat Commun
Nys J, Pescia G, Sinibaldi A, Carleo G.
europepmc   +1 more source

x‐Ray Structure of Streptomyces avermitilis Phospholipase D Reveals a Ca2+‐Stabilized Expanded Active‐Site Cleft Adapted for Phospholipid Binding

Proteins: Structure, Function, and Bioinformatics, Volume 94, Issue 9, Page 1543-1550, September 2026.
ABSTRACT Phospholipase D (PLD) catalyzes the hydrolysis of phospholipids to generate phosphatidic acid and free head groups such as choline. Among bacterial PLD enzymes, Streptomyces chromofuscus PLD (SchPLD), a member of the alkaline phosphatase D (PhoD) superfamily, exhibits unique Ca2+‐dependent phospholipase activity.
Yoshiaki Yasutake, Tatsuya Hirata, Shunsuke Nomura, Kenji Konishi, Kazunari Yoneda, Shin‐ichi Sakasegawa, Haruhiko Sakuraba   +6 more
wiley   +1 more source

PCK2 Inhibition Reverses Cisplatin Resistance of Non‐Small Cell Lung Cancer by Triggering Ferroptosis

The FASEB Journal, Volume 40, Issue 16, 31 August 2026.
Metabolic enzyme PCK2 is aberrantly upregulated in cisplatin‐resistant NSCLC cells, which inhibits ferroptosis and ultimately facilitates tumor chemoresistance. The small‐molecule inhibitor RGB‐286638 directly binds to the key R454 functional site of PCK2 protein, efficiently inhibits PCK2 expression, and rescues PCK2‐mediated ferroptosis suppression ...
Jing Liu, Ziyan Wang, Chen Gu, Yili Chen, Yang Yang, Jianjie Zhu, Yihua Zhang, Yuna Shao, Xiaodong Pang, Yujie Ge, Huiwen Qian, Jian‐an Huang, Zeyi Liu, Yuanyuan Zeng, Cheng Ji   +14 more
wiley   +1 more source

Bifurcation analysis and dynamical behavior of novel optical soliton solution of chiral (2 + 1) dimensional nonlinear Schrodinger equation in telecommunication system. [PDF]

Sci Rep
Saber H, Roshid MM, Bouye M, Muhyi A, Moumen A, Aldwoah K.   +5 more
europepmc   +1 more source