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Non-bonding energy directed designing of HDAC2 inhibitors through molecular dynamics simulation.
J Biomol Struct Dyn. 2022;40(24):13432-13455. doi: 10.1080/07391102.2021.1989037. Epub 2021 Oct 18.
J Biomol Struct Dyn. 2022.
PMID: 34662251
We have explored five HDAC2 co-crystals having PDB ligand code-SHH (vorinostat), LLX, 20Y, IWX (BRD4884) and 6EZ (BRD7232). For analyzing protein-ligand interaction at an atomistic level, we have employed the NAMD molecular dynamics (MD) package. ...
We have explored five HDAC2 co-crystals having PDB ligand code-SHH (vorinostat), LLX, 20Y, IWX (BRD4884) and 6EZ (BRD7232). For analy …
Data-driven clustering identifies features distinguishing multisystem inflammatory syndrome from acute COVID-19 in children and adolescents.
Geva A, Patel MM, Newhams MM, Young CC, Son MBF, Kong M, Maddux AB, Hall MW, Riggs BJ, Singh AR, Giuliano JS, Hobbs CV, Loftis LL, McLaughlin GE, Schwartz SP, Schuster JE, Babbitt CJ, Halasa NB, Gertz SJ, Doymaz S, Hume JR, Bradford TT, Irby K, Carroll CL, McGuire JK, Tarquinio KM, Rowan CM, Mack EH, Cvijanovich NZ, Fitzgerald JC, Spinella PC, Staat MA, Clouser KN, Soma VL, Dapul H, Maamari M, Bowens C, Havlin KM, Mourani PM, Heidemann SM, Horwitz SM, Feldstein LR, Tenforde MW, Newburger JW, Mandl KD, Randolph AG; Overcoming COVID-19 Investigators.
Geva A, et al.
EClinicalMedicine. 2021 Oct;40:101112. doi: 10.1016/j.eclinm.2021.101112. Epub 2021 Aug 31.
EClinicalMedicine. 2021.
PMID: 34485878
Free PMC article.
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Effect of gender, age, diet and smoking status on chronomics of circulating plasma lipid components in healthy Indians.
Singh R, Sharma S, Singh RK, Mahdi AA, Singh RK, Lee Gierke C, Cornelissen G.
Singh R, et al.
Clin Chim Acta. 2016 Aug 1;459:10-18. doi: 10.1016/j.cca.2016.05.010. Epub 2016 May 17.
Clin Chim Acta. 2016.
PMID: 27206813
BACKGROUND: Circulating lipid components were studied under near-normal tropical conditions (around Lucknow) in 162 healthy volunteers - mostly medical students, staff members and members of their families (103 males and 59 females; 7 to 75y), subdivided into 4 age groups: A (7- …
BACKGROUND: Circulating lipid components were studied under near-normal tropical conditions (around Lucknow) in 162 healthy volunteers - mos …
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