[chemwriter]
化学反应计算器
Boxue Tian Team of Tsinghua University won the fourth place in 2021 global antibody affinity prediction competition
The advent of AI era has brought infinite possibilities to the new interdisciplinary biological computing. The integration of "biology + computing" can make effective use of a…
Organic Chemistry Frontiers | Elucidating the selectivity of dyotropic rearrangements of β-lactones: a computational survey
ABSTRACT: The dyotropic rearrangement of β-lactones is a neglected treasure in the family of multi-bond reactions and pericyclic reactions. Despite its appealing synthetic pot…
Chemical Science | Controlled movement of ssDNA conjugated peptide through Mycobacterium smegmatis porin A (MspA) nanopore by a helicase motor for peptide sequencing application
ABSTRACT: The lack of an efficient, low-cost sequencing method has long been a significant bottleneck in protein research and applications. In recent years, the nanopore platf…
ACS Catalysis | Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis
ABSTRACT: The development of protocols for constructing chiral medium-sized heterocycles with high efficiency and excellent stereocontrol is of great interest owing to their u…
Science Immunology | Pharmacological targeting of NLRP3 deubiquitination for treatment of NLRP3-associated inflammatory diseases
ABSTRACT: Pharmacologically inhibiting nucleotide-binding domain and leucine-rich repeat-containing (NLR) family, pyrin domain–containing protein 3 (NLRP3) inflammasome activa…
ACS Catalysis | Cooperative N-heterocyclic Carbene and Iridium Catalysis Enables Stereoselective and Regiodivergent [3 + 2] and [3 + 3] Annulation Reactions
ABSTRACT: A cooperative N-heterocyclic carbene (NHC)/iridium catalysis has been developed to achieve highly stereoselective and regiodivergent [3 + 2] and [3 + 3] annulation r…