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Year Number of Results
1968 2
1977 1
1979 4
1980 1
1981 1
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1987 3
1988 3
1989 5
1990 2
1991 6
1993 5
1994 7
1995 6
1996 11
1997 15
1998 11
1999 13
2000 14
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2002 18
2003 18
2004 21
2005 21
2006 30
2007 28
2008 41
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2015 72
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2023 250
2024 86

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1,861 results

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Page 1
Protein-Ligand Binding Free Energy Calculations with FEP.
Wang L, Chambers J, Abel R. Wang L, et al. Methods Mol Biol. 2019;2022:201-232. doi: 10.1007/978-1-4939-9608-7_9. Methods Mol Biol. 2019. PMID: 31396905
In this chapter, we outline the methodological advances in FEP+, including the OPLS3 force fields, the REST2 (Replica Exchange with Solute Tempering) enhanced sampling, the incorporation of REST2 sampling with conventional FEP (Free Energy Perturbation) through FEP/REST, a …
In this chapter, we outline the methodological advances in FEP+, including the OPLS3 force fields, the REST2 (Replica Exchange with Solute T …
Positive-Incentive Noise.
Li X. Li X. IEEE Trans Neural Netw Learn Syst. 2022 Dec 29;PP. doi: 10.1109/TNNLS.2022.3224577. Online ahead of print. IEEE Trans Neural Netw Learn Syst. 2022. PMID: 37015646
., engineering and learning systems. However, this brief aims to investigate whether the conventional proposition always holds. It begins with the definition of task entropy, which extends from the information entropy and measures the complexity of the task. …
., engineering and learning systems. However, this brief aims to investigate whether the conventional proposition always holds. It be …
Enthalpy-entropy compensation: the role of solvation.
Dragan AI, Read CM, Crane-Robinson C. Dragan AI, et al. Eur Biophys J. 2017 May;46(4):301-308. doi: 10.1007/s00249-016-1182-6. Epub 2016 Oct 28. Eur Biophys J. 2017. PMID: 27796417 Free PMC article. Review.
The conventional explanation for such enthalpy-entropy compensation (EEC) is that tighter contacts lead to a more negative enthalpy but increased molecular constraints, i.e., a compensating conformational entropy reduction. ...Two systems exhibiting EEC show …
The conventional explanation for such enthalpy-entropy compensation (EEC) is that tighter contacts lead to a more negative ent …
Latticed-Confined Conversion Chemistry of Battery Electrode.
Fang L, Li H, Xu BB, Ma J, Pan H, He Q, Zheng T, Ni W, Lin Y, Li Y, Cao Y, Sun C, Yan M, Sun W, Jiang Y. Fang L, et al. Small. 2022 Dec;18(48):e2204912. doi: 10.1002/smll.202204912. Epub 2022 Oct 20. Small. 2022. PMID: 36266964
However, the complete structural change accompanied by spontaneous atomic migration and volume variation during the charge/discharge cycle leads to electrode disintegration and performance degradation, therefore severely restricting the application of conventional conversi …
However, the complete structural change accompanied by spontaneous atomic migration and volume variation during the charge/discharge cycle l …
Slide-Ring Materials Using Cyclodextrin.
Ito K. Ito K. Chem Pharm Bull (Tokyo). 2017;65(4):326-329. doi: 10.1248/cpb.c16-00874. Chem Pharm Bull (Tokyo). 2017. PMID: 28381671 Free article. Review.
This indicates that the cross-links can pass through the polymer chains similar to pulleys to relax the tension of the backbone polymer chains. The slide-ring materials also differ from conventional polymers in that the entropy of rings affects the elasticity. ...
This indicates that the cross-links can pass through the polymer chains similar to pulleys to relax the tension of the backbone polymer chai …
Transition from High-Entropy to Conventional Alloys: Which Are Better?
Babić E, Drobac Đ, Figueroa IA, Laurent-Brocq M, Marohnić Ž, Mikšić Trontl V, Pajić D, Perrière L, Pervan P, Remenyi G, Ristić R, Salčinović Fetić A, Starešinić D, Zadro K. Babić E, et al. Materials (Basel). 2021 Oct 5;14(19):5824. doi: 10.3390/ma14195824. Materials (Basel). 2021. PMID: 34640219 Free PMC article.
The study of the transition from high-entropy alloys (HEAs) to conventional alloys (CAs) composed of the same alloying components is apparently important, both for understanding the formation of HEAs and for proper evaluation of their potential with respect to that …
The study of the transition from high-entropy alloys (HEAs) to conventional alloys (CAs) composed of the same alloying compone …
High-performance biosensing based on autonomous enzyme-free DNA circuits.
Wang H, Wang H, Willner I, Wang F. Wang H, et al. Top Curr Chem (Cham). 2020 Feb 3;378(1):20. doi: 10.1007/s41061-020-0284-x. Top Curr Chem (Cham). 2020. PMID: 32016608 Review.
Nucleic acids are considered not only extraordinary carriers of genetic information but also are perceived as the perfect elemental materials of molecular recognition and signal transduction/amplification for assembling programmable artificial reaction networks or circuits, which …
Nucleic acids are considered not only extraordinary carriers of genetic information but also are perceived as the perfect elemental material …
High-Entropy Alloys for Advanced Nuclear Applications.
Pickering EJ, Carruthers AW, Barron PJ, Middleburgh SC, Armstrong DEJ, Gandy AS. Pickering EJ, et al. Entropy (Basel). 2021 Jan 11;23(1):98. doi: 10.3390/e23010098. Entropy (Basel). 2021. PMID: 33440904 Free PMC article. Review.
The expanded compositional freedom afforded by high-entropy alloys (HEAs) represents a unique opportunity for the design of alloys for advanced nuclear applications, in particular for applications where current engineering alloys fall short. ...Nevertheless, there may be s …
The expanded compositional freedom afforded by high-entropy alloys (HEAs) represents a unique opportunity for the design of alloys fo …
Tribological Performance of High-Entropy Coatings (HECs): A Review.
Patel P, Roy A, Sharifi N, Stoyanov P, Chromik RR, Moreau C. Patel P, et al. Materials (Basel). 2022 May 21;15(10):3699. doi: 10.3390/ma15103699. Materials (Basel). 2022. PMID: 35629725 Free PMC article. Review.
High-entropy alloys (HEAs) are defined as alloys containing five or more principal elements in equal or close to equal atomic percentage. Owing to the high configurational entropy compared to conventional alloys, HEAs are usually composed of a simple solid so …
High-entropy alloys (HEAs) are defined as alloys containing five or more principal elements in equal or close to equal atomic percent …
Rapid Synthesis of High-Entropy Oxide Microparticles.
Dong Q, Hong M, Gao J, Li T, Cui M, Li S, Qiao H, Brozena AH, Yao Y, Wang X, Chen G, Luo J, Hu L. Dong Q, et al. Small. 2022 Mar;18(11):e2104761. doi: 10.1002/smll.202104761. Epub 2022 Jan 20. Small. 2022. PMID: 35049145
High-entropy nanoparticles have received notable attention due to their tunable properties and broad material space. However, these nanoparticles are not suitable for certain applications (e.g., battery electrodes), where their microparticle (submicron to micron) counterpa …
High-entropy nanoparticles have received notable attention due to their tunable properties and broad material space. However, these n …
1,861 results