Results 181 to 190 of about 182,622 (338)

Spectral Decomposition of Chemical Semantics for Activity Cliffs‐Aware Molecular Property Prediction

Advanced Science, EarlyView.
PrismNet mimics chemical intuition by functioning as a computational prism, refracting molecular graphs into complementary semantic views and spectral frequencies. This dual‐decomposition strategy effectively captures both global topologies and subtle “activity cliff” perturbations.
Chaoyang Xie, Junhu Xu, Guangyi Huang, Shihang Wang, Mutian He, Xinyu Dong, Huiyang Hong, Xiaojun Yao, Qi Wang, Yuquan Li   +9 more
wiley   +1 more source

Chiral symmetry breaking yields the I-Au₆₀ perfect golden shell of singular rigidity. [PDF]

Nat Commun, 2018
Mullins SM, Weissker HC, Sinha-Roy R, Pelayo JJ, Garzón IL, Whetten RL, López-Lozano X.   +6 more
europepmc   +1 more source

Deconfinement and Chiral Symmetry Restoration

, 1998
We discuss the critical behaviour of strongly interacting matter close to the QCD phase transition. Emphasis is put on a presentation of results from lattice calculations that illustrate deconfining as well as chiral symmetry restoring features of the phase transition.
openaire   +3 more sources

Multi‐View Biomedical Foundation Models for Molecule‐Target and Property Prediction

Advanced Science, EarlyView.
Molecular foundation models can provide accurate predictions for a large set of downstream tasks. We develop MMELON, an approach that integrates pre‐trained graph, image, and text foundation models and validate our multi‐view model on over 120 tasks, including GPCR binding.
Parthasarathy Suryanarayanan, Yunguang Qiu, Shreyans Sethi, Diwakar Mahajan, Hongyang Li, Yuxin Yang, Elif Eyigoz, Aldo Guzmán‐Sáenz, Daniel E. Platt, Timothy H. Rumbell, Kenney Ng, Sanjoy Dey, Myson Burch, Bum Chul Kwon, Pablo Meyer, Feixiong Cheng, Jianying Hu, Joseph A. Morrone   +17 more
wiley   +1 more source

Spontaneous chiral-symmetry breaking in three-dimensional QED with a Chern-Simons term [PDF]

, 1995
Kei-Ichi Kondo, Pieter Maris
openalex   +1 more source

AI‐Based D‐Amino Acid Substitution for Optimizing Antimicrobial Peptides to Treat Multidrug‐Resistant Bacterial Infection

Advanced Science, EarlyView.
This study constructed the first D‐amino acid antimicrobial peptide dataset and developed an AI model for efficient screening of substitution sites, with 80% of candidate peptides showing enhanced activity. The lead peptide dR2‐1 demonstrated potent antimicrobial activity in vitro and in vivo, high stability, and low toxicity.
Yinuo Zhao, Qingzhou Kong, Haifan Gong, Lixiang Li, Jialu Fu, Boyao Wan, Peizhu Wang, Xiaojuan Li, Yue Wang, Jinghui Zhang, Yanbo Yu, Xiaoyun Yang, Xiuli Zuo, Haina Wang, Yanqing Li   +14 more
wiley   +1 more source

Competition Between Liquid‐Liquid Crystalline Phase Separation (LLCPS) and Liquid‐Liquid Phase Separation (LLPS) in Amyloid Fibril Colloidal Systems

Advanced Science, EarlyView.
This study shows that amyloid fibrils form nematic condensates via liquid–liquid crystalline phase separation (LLCPS). With increasing pH, this transition shifts toward disordered condensates formed through liquid–liquid phase separation (LLPS), in which birefringence with lack of a coherent nematic field symmetry originates from enthalpic fibril ...
Milad Radiom, Raffaele Mezzenga
wiley   +1 more source

Spontaneous chiral symmetry breaking in a single crystal. [PDF]

Chem Sci
Oketani R, Okada M, Takaji K, Shigemitsu H, Kida T, Nakashima T, Hisaki I.   +6 more
europepmc   +1 more source

Domain wall network as QCD vacuum: confinement, chiral symmetry, hadronization [PDF]

, 2017
Sergei N. Nedelko, Vladimir E. Voronin
openalex   +1 more source

Chiral spin symmetry

14 pages.
openaire   +2 more sources