Results 201 to 210 of about 56,351 (299)

Comparative Analysis of Deep Learning‐Based Algorithms for Peptide Structure Prediction

Proteins: Structure, Function, and Bioinformatics, Volume 94, Issue 3, Page 675-691, March 2026.
ABSTRACT While of primary importance in both the biomedical and therapeutic fields, peptides suffer from a relative lack of dedicated tools to predict efficiently and accurately their 3D structures despite being a crucial step in understanding their physio‐pathological function or designing new drugs. In recent years, deep‐learning methods have enabled
Clément Sauvestre, Jean‐François Zagury, Florent Langenfeld   +2 more
wiley   +1 more source

Tailored GAFF Parameters for Pentamethylcyclopentadienyl Rh(I/III) Complexes with α-Diimine Ligands: Validation and Solvation Studies. [PDF]

J Phys Chem B
Jacobi R, Zois KP, Mengele AK, Rau S, González L.   +4 more
europepmc   +1 more source

Turn‐Induction in Peptides Incorporating Novel Cyrene‐Derived α,α‐Disubstituted Amino Acid

Journal of Peptide Science, Volume 32, Issue 3, March 2026.
Novel chiral cyrene‐derived Cyr residues were incorporated into peptides. The α,α‐disubstituted amino acid residue was introduced using the Ugi reaction. X‐ray crystallographic analysis of R‐ and S‐Cyr residues indicated preference to adopt left‐ and right‐handed α‐helical conformations, respectively.
Kajumee Bora Bhowal, Raphael Hitti, William D. Lubell   +2 more
wiley   +1 more source

Restoration of the Y220C p53 Full-Length Mutant by PK11000: a Molecular Dynamics Study of an Intrinsically Disordered Protein. [PDF]

ACS Omega
Stetson S, Caballero Mancía F, Thayer KM.   +2 more
europepmc   +1 more source

Protein Structure Idealization: How accurately is it possible to model protein structures with dihedral angles? [PDF]

Algorithms Mol Biol, 2013
Cui X, Li SC, Bu D, Alipanahi B, Li M.
europepmc   +1 more source

A survey of downstream applications of evolutionary scale modeling protein language models

Quantitative Biology, Volume 14, Issue 1, March 2026.
Abstract The evolutionary scale modeling (ESM) series is promising to revolutionize protein science and engineering through large language models (LLMs), providing a robust framework for understanding the relationships among sequences, structures, and functions of proteins.
Qingyu Yang, Jiale Yu, Jie Zheng
wiley   +1 more source

Determination of key functional structures of an amorphous VHL-based SMARCA2 PROTAC. [PDF]

Nat Commun
Torodii D, Holmes JB, Cordova M, Moutzouri P, van Beek L, Edfeldt F, Malmerberg E, Friis SD, Johansson JR, Milbradt AG, Nilsson Lill SO, Malfait B, Schantz S, Emsley L.   +13 more
europepmc   +1 more source

Models of the Membrane-Bound Cytochromes:  Mössbauer Spectra of Crystalline Low-Spin Ferriheme Complexes Having Axial Ligand Plane Dihedral Angles Ranging from 0° to 90°

, 2006
Thomas Teschner, Liliya A. Yatsunyk, Volker Schünemann, Hauke Paulsen, H. Winkler, Chuanjiang Hu, W. Robert Scheidt, F. Ann Walker, Alfred X. Trautwein   +8 more
openalex   +1 more source

Exploring the World of Double Nanohoops

Angewandte Chemie International Edition, Volume 65, Issue 6, 2 February 2026.
As two conjugated nanohoops covalently linked by a central unit, double nanohoops are a relatively new class of strained nanocarbons with different properties to single nanohoops. This review gives an overview of all reported double nanohoops, categorizing their structures, syntheses, and discussing properties and applications. Creativity and synthetic
Luisa Rzesny, Philipp Seitz, Birgit Esser   +2 more
wiley   +1 more source

Single-residue engineering of lambda (λ) antibody light chains reduces conformational flexibility and enhances thermal stability. [PDF]

Comput Struct Biotechnol J
Jewel Y, Young T, Park M, Ly K, Gonzalez A, Mallett TC, Williams JC.   +6 more
europepmc   +1 more source