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1

Khan, Abbas, Omar Ahsan, Dong-Qing Wei, Jawad Khaliq Ansari, Muzammil Hasan Najmi, Khalid Muhammad, and Yasir Waheed. "Computational Evaluation of Abrogation of HBx-Bcl-xL Complex with High-Affinity Carbon Nanotubes (Fullerene) to Halt the Hepatitis B Virus Replication." Molecules 26, no. 21 (October 25, 2021): 6433. http://dx.doi.org/10.3390/molecules26216433.

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Hepatitis B virus (HBV) is the world’s most prevalent chronic viral infection. More than 350 million individuals are chronic carriers of the virus, with an estimated 2 billion infected persons. For instance, the role of HBx protein in attachment and infection is very obvious and consequently deemed as an important druggable target. Targeting the interface and discovering novel drugs greatly advanced the field of therapeutics development. Therefore, in the current study, HBx to Bcl-xL is abrogated on high-affinity carbon nanotubes using computational structural biology tools. Our analysis revealed that among the total 62 carbon fullerenes, only 13 compounds exhibited inhibitory activity against HBx, which was further confirmed through IFD-based rescoring. Structural dynamics investigation revealed stable binding, compactness, and hydrogen bonds reprogramming. Moreover, the binding free energy calculation results revealed that the top hits1-4 possess the total binding energy of −54.36 kcal/mol (hit1), −50.81 kcal/mol (hit2), −47.09 kcal/mol (hit3), and −45.59 kcal/mol for hit4. In addition, the predicted KD values and bioactivity scores further validated the inhibitory potential of these top hits. The identified compounds need further in vitro and in vivo validation to aid the treatment process of HBV.
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2

Franceschet, Massimo. "HITS hits art." Blockchain: Research and Applications 2, no. 4 (December 2021): 100038. http://dx.doi.org/10.1016/j.bcra.2021.100038.

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3

Melton, Heather C., and Joanne Belknap. "He Hits, She Hits." Criminal Justice and Behavior 30, no. 3 (June 2003): 328–48. http://dx.doi.org/10.1177/0093854803030003004.

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4

Neame, Elizabeth. "HITS-CLIP hits the microRNA target." Nature Reviews Genetics 10, no. 8 (August 2009): 510–11. http://dx.doi.org/10.1038/nrg2635.

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5

Lawton, Graham. "Climate Hits." New Scientist 241, no. 3218 (February 2019): 40–43. http://dx.doi.org/10.1016/s0262-4079(19)30334-3.

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6

Mole. "Greatest hits." Journal of Cell Science 119, no. 5 (March 1, 2006): 783–85. http://dx.doi.org/10.1242/jcs.02863.

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7

Lewis, Tanya. "Quick Hits." Scientific American 319, no. 1 (June 19, 2018): 21. http://dx.doi.org/10.1038/scientificamerican0718-21.

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8

Wojtys, Edward M. "Big Hits." Sports Health: A Multidisciplinary Approach 1, no. 6 (November 2009): 459–60. http://dx.doi.org/10.1177/1941738109350412.

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9

Marks, Andrea. "Quick Hits." Scientific American 316, no. 5 (April 18, 2017): 20. http://dx.doi.org/10.1038/scientificamerican0517-20.

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10

Saplakoglu, Yasemin. "Quick Hits." Scientific American 318, no. 5 (April 17, 2018): 19. http://dx.doi.org/10.1038/scientificamerican0518-19.

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11

Saplakoglu, Yasemin. "Quick Hits." Scientific American 317, no. 6 (November 14, 2017): 19. http://dx.doi.org/10.1038/scientificamerican1217-19.

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12

Zirkel, Perry A. "Bong Hits?" Phi Delta Kappan 89, no. 2 (October 2007): 158–59. http://dx.doi.org/10.1177/003172170708900215.

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13

Marks, Andrea. "Quick Hits." Scientific American 316, no. 4 (March 14, 2017): 20. http://dx.doi.org/10.1038/scientificamerican0417-20.

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14

Saplakoglu, Yasemin. "Quick Hits." Scientific American 318, no. 4 (March 20, 2018): 19. http://dx.doi.org/10.1038/scientificamerican0418-19.

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15

Nemo, Leslie. "Quick Hits." Scientific American 317, no. 5 (October 19, 2017): 21. http://dx.doi.org/10.1038/scientificamerican1117-21.

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16

Paliwal, Ankur. "Quick Hits." Scientific American 319, no. 5 (October 16, 2018): 20. http://dx.doi.org/10.1038/scientificamerican1118-20b.

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17

Ball, Philip. "Greatest hits." Nature Materials 7, no. 2 (February 2008): 102. http://dx.doi.org/10.1038/nmat2105.

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18

Getz, Malcolm. "NO HITS." Bottom Line 5, no. 1 (January 1992): 41–42. http://dx.doi.org/10.1108/eb025323.

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19

Nemo, Leslie. "Quick Hits." Scientific American 317, no. 3 (August 15, 2017): 20. http://dx.doi.org/10.1038/scientificamerican0917-20.

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20

Nemo, Leslie. "Quick Hits." Scientific American 317, no. 4 (September 19, 2017): 22. http://dx.doi.org/10.1038/scientificamerican1017-22.

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21

Miller, Maya. "Quick Hits." Scientific American 319, no. 4 (September 18, 2018): 15. http://dx.doi.org/10.1038/scientificamerican1018-15.

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22

Saplakoglu, Yasemin. "Quick Hits." Scientific American 318, no. 3 (February 20, 2018): 22. http://dx.doi.org/10.1038/scientificamerican0318-22.

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23

Marks, Andrea. "Quick Hits." Scientific American 316, no. 6 (May 16, 2017): 18. http://dx.doi.org/10.1038/scientificamerican0617-18.

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24

Marks, Andrea. "Quick Hits." Scientific American 317, no. 1 (June 20, 2017): 22. http://dx.doi.org/10.1038/scientificamerican0717-22.

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25

Nemo, Leslie. "Quick Hits." Scientific American 317, no. 2 (July 16, 2017): 18. http://dx.doi.org/10.1038/scientificamerican0817-18.

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26

Miller, Maya. "Quick Hits." Scientific American 319, no. 2 (July 17, 2018): 23. http://dx.doi.org/10.1038/scientificamerican0818-23.

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27

Petley, Julian. "Smashed Hits." Index on Censorship 27, no. 6 (November 1998): 10–19. http://dx.doi.org/10.1080/03064229808536446.

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28

Saplakoglu, Yasemin. "Quick Hits." Scientific American 318, no. 2 (January 16, 2018): 21. http://dx.doi.org/10.1038/scientificamerican0218-21.

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29

Saplakoglu, Yasemin. "Quick Hits." Scientific American 318, no. 1 (December 19, 2017): 20. http://dx.doi.org/10.1038/scientificamerican0118-20.

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30

Sugnet, Charles, David Denby's, Harold Bloom's, and E. D. Hirsch's. "Greatest Hits." Transition, no. 72 (1996): 94. http://dx.doi.org/10.2307/2935363.

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31

Kuczewski, Mark, and James F. Childress. "Childress's Greatest Hits." Hastings Center Report 28, no. 4 (July 1998): 42. http://dx.doi.org/10.2307/3528613.

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32

G., K. "Rawls' greatest hits." Philosophers' Magazine, no. 70 (2015): 8. http://dx.doi.org/10.5840/tpm20157067.

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33

Grain, Kerrie. "Philosopher hits jackpot." Philosophers' Magazine, no. 72 (2016): 8. http://dx.doi.org/10.5840/tpm2016727.

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34

Eassom, Simon. "Singer’s greatest hits." Philosophers' Magazine, no. 15 (2001): 59. http://dx.doi.org/10.5840/tpm200115110.

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35

Deligiorgis, Stavros. "After Some Hits." Iowa Review 15, no. 2 (April 1985): 81–82. http://dx.doi.org/10.17077/0021-065x.3227.

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36

Gengler, Barbara. "Controversy hits tristrata." Network Security 1998, no. 12 (December 1998): 7. http://dx.doi.org/10.1016/s1353-4858(98)90148-9.

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37

JARVIS, LISA M. "PATENT WAVE HITS." Chemical & Engineering News 88, no. 46 (November 15, 2010): 23–25. http://dx.doi.org/10.1021/cen-v088n046.p023.

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38

Bambach, Richard K. "Paleontology's Greatest Hits." Paleontological Society Papers 14 (October 2008): 17–40. http://dx.doi.org/10.1017/s1089332600001583.

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Although this paper mentions many specific discoveries and advances it is not intended as a catalog of the “biggest hits” in the sense of public notice, but rather it is an effort to chart how the diversity of paleontological work in the last century fits into the context of the biggest hit of all, the emergence of a “new paleontology” in which conceptual advances have revolutionized every aspect of our profession. When the Paleontological Society was founded no unambiguous fossils were known from the immense stretch of Precambrian time and no hominine fossils were known from Africa. Rigorous phylogenetic analysis and a seat for paleontology at the “high table” of evolutionary biology were in the future. Where once we learned a series of guide fossils and thought we had studied paleontology, now students explore taphonomy, paleoeocology, geobiology and macroevolution in our general courses on paleontology. This paper attempts to take notice of some of the highlights of our evolution from a field focused on cataloging and describing the contents of the fossil record into a complex, multidisciplinary endeavor focused on analytical study of general questions. Some of those hits have been discoveries that document the course of evolution, some have been new conceptual approaches that give us insights that link pattern to process, some are new ways of compiling, analyzing or communicating our knowledge. But with all that the study of the history of life remains at the heart of our profession. The change has been the shift in goal from description to understanding of that history, from “what” to “how.” The greatest hits have been the steps that have opened the way to understanding, that have made following the path possible.
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39

Robertson, Justin, and Sally Murray. "Hits or Misses." Journal of Hospital Librarianship 3, no. 1 (January 2003): 93–96. http://dx.doi.org/10.1300/j186v03n01_12.

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40

Sleicher;, C., and A. E. Perry. "Turbulence Hits Wall." Science 273, no. 5278 (August 23, 1996): 1029c—1032. http://dx.doi.org/10.1126/science.273.5278.1029c.

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41

Sleicher, C. "Turbulence Hits Wall." Science 273, no. 5278 (August 23, 1996): 1030b—1031b. http://dx.doi.org/10.1126/science.273.5278.1030b.

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42

Perry, A. E. "Turbulence Hits Wall." Science 273, no. 5278 (August 23, 1996): 1031a. http://dx.doi.org/10.1126/science.273.5278.1031a.

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43

Hehl, Brian. ""Miracles"; Hits Home." JEMS: Journal of Emergency Medical Services 32, no. 3 (March 2007): 20. http://dx.doi.org/10.1016/s0197-2510(07)70068-2.

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44

Elwood, William H. ""Miracles" Hits Home." JEMS: Journal of Emergency Medical Services 32, no. 3 (March 2007): 20. http://dx.doi.org/10.1016/s0197-2510(07)70069-4.

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45

Blake, Virgil L. P. "Picking the Hits." Collection Management 11, no. 3-4 (July 14, 1989): 23–58. http://dx.doi.org/10.1300/j105v11n03_02.

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46

Griggs, Richard A., and Brian Collisson. "ToP’s Greatest Hits." Teaching of Psychology 40, no. 2 (January 30, 2013): 76–87. http://dx.doi.org/10.1177/0098628312475026.

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47

Bucci, Mirella. "Hits for Tat." Nature Chemical Biology 9, no. 4 (March 18, 2013): 215. http://dx.doi.org/10.1038/nchembio.1220.

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48

Parnok, Sophia, and Rainie Oet. "It hits me." Minnesota review 2019, no. 93 (November 1, 2019): 42–43. http://dx.doi.org/10.1215/00265667-7737157.

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49

Platt, Alec B., Lindsay C. Wick, Sharon Hurley, Haideliza Soto-Calderon, Will Wieland, Beth Staley, Greg Maislin, and Indira Gurubhagavatula. "Hits and Misses." Journal of Occupational and Environmental Medicine 55, no. 9 (September 2013): 1035–40. http://dx.doi.org/10.1097/jom.0b013e318298fb0e.

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50

Gintzler, Alan R. "Hits the Spot!" Trends in Endocrinology & Metabolism 11, no. 5 (July 2000): 204. http://dx.doi.org/10.1016/s1043-2760(00)00251-4.

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