PESI: paratope-epitope set interaction for SARS-CoV-2 neutralization prediction by Wan, Zhang, Lin, Zhuoyi, Rashid, Shamima, Ng, Shaun Yue Hao, Yin, Rui, Senthilnath, J., Kwoh, Chee Keong

“…Despite LLM's success, incorporating full-length Fv sequences suffers from: 1) inaccurate sequence-level labels in existing datasets, 2) inefficient modeling due to noisy non-contributing motifs, and 3) ignorance of non-bonded interactions that play a key role in facilitating epitope-paratope pairing. …”
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Revealing Structural and Spin-state Dependent Reactivity of Single Atom Catalysts (SACs) with Systematically Improvable Computational Tools by Jia, Haojun (贾皓钧)

“…In this thesis, we use range-separated hybrid density functional theory (DFT) to compare the energetics and structure of the direct metal-coordinating environment in the presence of 2p (i.e., N or O) and 3p (i.e., P or S) dopants and with increasing finite graphene model flake size to mimic differences in local rigidity. While metal–ligand bond lengths in SACs are significantly shorter than those in transition metal complexes, they remain longer than SAC mimic macrocyclic complexes. …”
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Structural analysis of the novel influenza A (H7N9) viral Neuraminidase interactions with current approved neuraminidase inhibitors Oseltamivir, Zanamivir, and Peramivir in the pre... by Tran-To Su, Chinh, Ouyang, Xuchang, Zheng, Jie, Kwoh, Chee Keong

“…Conformational changes induced by the mutation R289K causes loss of number of hydrogen bonds between the inhibitors and the H7N9 viral neuraminidase in 2 out of 3 complexes. …”
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New multi-target based therapeutics against an opportunistic superbug by Premkumar, Jayaraman.

“…Docking and dynamics simulation studies reveal that the designed hybrid compounds have favourable binding affinity and stability in their respective binding-site cavities by forming strong hydrogen bonds and hydrophobic interactions with key active site residues. …”
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Structural and functional studies of C-nucleoside formation enzymes by Li, W

“…The substitution of C-C glycosidic bonds holds the promise of preserving the drug properties of the parent compound while rendering the compound essentially undegradable.…”

Why do Chinese firms go public abroad and how do they perform? by Yuan, Mengying

“…The main finding is that overseas-listed companies do not perform better than A-share listed firms, but they are more likely to conduct M&A activities, financial investments, and bond issuance in currencies other than RMB. Finally, we discuss the delisting pressure on Chinese stocks from the U.S. exchanges from both the Chinese and U.S. authorities. …”
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Progressive collapse behaviour of precast concrete structures with advanced joints by Nguyen, Van Hung

“…Building upon this insight, a macro bond-slip model was proposed for headed bars, incorporated into CBMs, and verified against the test results from Series I with reasonable accuracy. …”
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Injectable and biomimetic poly (ethylene glycol) hydrogel systems for in situ therapeutic cell delivery by Cao, Ye

“…FRP (NHDFs) were encapsulated into the gelatin-PEG hydrogel by crosslinking the remaining double bonds of precursor under UV light in situ with high cell viability. …”
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Pulsed fiber laser at 1 μm wavelength region by Liu, Meng

“…This in turn emphasizes the strong bond between the application and the laser design.…”
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A type of novel energy harvesting device by Deng, J

“…</p> <p>This has led to the development of a new mechanical system which consists of a central shim with four identical beams bonded by two blocks and magnetic buttons. By numerical simulation and experiments, we are able to show that the new design can be a system with either hardening mechanism or snap-through mechanism with a suitable selection of the column height. …”

Selected Problems of Solid Mechanics and Solving Methods / by Altenbach, Holm, 1956-, editor 444293, Bogdanov, Viacheslav, editor 656036, Grigorenko, Alexander Ya, editor 656037, Kushnir, Roman M., editor 656038, Nazarenko, Vladimir M., editor 656039, Eremeyev, Victor A., editor 531300

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New Purification Strategies and Monomer Platforms for Ruthenium-Initiated Living Ring-Opening Metathesis Polymerization by Kilgallon, Landon J.

“…Covalent capture purification—a type of catch-and-release purification—purifies molecules by selectively capturing them (via a covalent bond) onto a solid support, washing away impurities, and cleaving the product from the support for recovery. …”
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Self-healing cementitious composites by encapsulation techniques by Feng, Jianhang

“…Owing to the modification by GO, hydrogels could reduce pH of cracks, bond well with surrounding matrix and alter morphology of calcium carbonate from cubic to needle shapes. …”
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Development of advanced Fe-based oxygen carriers for chemical looping applications by Fan, Qianwenhao

“…The enhanced activity can be rationalized by the enhanced activity of the TM-O bonds, which are correlated to descriptors such as Goldschmidt tolerance factor, the O 2p band center, and the degree of TM-O hybridization. 3. …”
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Development of in-line fiber-optic interferometric sensors by using biopolymer : chitosan. by Chen, Li Han.

“…Since chitosan has abundant of amino and hydroxyl groups present in its porous structure, these functional groups will enhance reversible adsorption of water vapor molecules from the gas phase through hydrogen bond formation. As a result, chitosan swells in the presence of water vapour. …”
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Thermoplastic polymer nanocomposites based on polydopamine-coated clay : preparation, structures and properties by Phua, Si Lei

“…The remarkable improvement can be attributed to the excessive hydrogen bonds between D-clay and the hard segments (hard segments are made of diisocyanate and the short-chain diol) of PU. …”
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Color and flavor development of roasted jackfruit (Artocarpus hetrophyllus L.) seeds by Azeez, Shakirah Omotoke

“…The major functional group with the highest intensity in both raw and roasted JFS was the C-O bond stretch of esters. A total of 95 compounds were identified using the gas chromatography-olfactometry (GC-O) on a diphenyl dimethyl polysiloxane (DB-5) and free fatty acid phase (FFAP) columns. …”
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Localized structural and bulk effects in hybrid organic-inoraginc perovskites by Wong, Walter Pei De

“…Through a combination of steady state photoinduced absorption, transient absorption and transient photocurrent measurements, this chapter has confirmed the existence of theoretically predicted polaronic states in MAPbI3 which finds its origins in the ‘soft’ lead – iodide bond. Chapter 5 primarily revolves around the 2-dimensional (2D) layered <110> cut of perovskite where this class of hybrid perovskites are known for several remarkable properties, such as white light emission or sometimes also called broadband emission. …”
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Solution based synthesis of Cu2ZnSnS4 nanoparticles and thin films for solar cell application by Li, Zhenggang

“…As for the case of DDT, the covalent bonded S is very stable and difficult to be broken down to release S, leading to formation of wurtzite phase. …”
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Investigation of nano-copper for electronic packaging application : solder metallization and die attach by Luo, Kaiming

“…Even though NC can directly bond with Cu surface without forming IMCs, for the purpose of its potential as a joining material used in the future, it is essential to understand its adhesion conditions with different metallizations. …”
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