2021
DOI: 10.1103/physrevlett.126.110502
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Experimental Quantum Principal Component Analysis via Parametrized Quantum Circuits

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Cited by 47 publications
(42 citation statements)
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“…After that, the child pharmacophoric pattern is searched in an inertial repeated merged system S asip = % (ml5 r, t) + ip2im2, r, t (equation18). (25,26,37) Then assume that one fragmented pharrmacophore system can describe the same superposition in an accelerating to a larger ligand-receptor system S' that obeys (20), with § = £ (r) (equation19), £ (0) = £ (7) (equation20), so that the system S' performs a closed quantum circuit and coincides with the chemical structure system the S at times t = 0 and t=T, such that r ‗ iT) = r (7) (equation21). (25)(26)(27)(28)(29)(30)(31)(32)(33)(34)37) To avoid q { h q; } qreg q (3) ; creg c (3) ; reset q (0) ; reset q (1) ; reset q (2) ; h q (0) ; u2 (pi/2,pi/2) q (1) ; incomplete (1Z) -2-{ ((2S,3S,5R) -5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl) -3-hydroxyoxolan-2-yl) methylidene} -2-cyano-1-({ ((2S,4R,5R) -2 group assignments, through two hydrogen-bonding interactions whenever a part into the S2 subsite of the structure relative to the complex between the 2-({[fluoro ({[ (2E) -5oxabicyclo [2.1.0] pentan-2-ylidene] cyano-lambda6-sulfanyl}) methyl]phosphorylidene} amino) -4,6dihydro-1H-purin-6-onecyano-1-({ ((2S,4R,5R) -2-methyl-2-(methylamino) -1,6-diazabicyclo with heptan-4-yl) oxy} imino) -1lambda5,2 lambda5-azaphosphiridin-1-ylium chemical groups of the cyclohexyl methyl is already recored and fragmented, the subsequent carbonyl oxygen matches have to be adjacent to the from the main-interacting chain amide of the residue Glu166 amino acid already occupied the space normally by the canonical S4…”
Section: Methodsmentioning
confidence: 99%
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“…After that, the child pharmacophoric pattern is searched in an inertial repeated merged system S asip = % (ml5 r, t) + ip2im2, r, t (equation18). (25,26,37) Then assume that one fragmented pharrmacophore system can describe the same superposition in an accelerating to a larger ligand-receptor system S' that obeys (20), with § = £ (r) (equation19), £ (0) = £ (7) (equation20), so that the system S' performs a closed quantum circuit and coincides with the chemical structure system the S at times t = 0 and t=T, such that r ‗ iT) = r (7) (equation21). (25)(26)(27)(28)(29)(30)(31)(32)(33)(34)37) To avoid q { h q; } qreg q (3) ; creg c (3) ; reset q (0) ; reset q (1) ; reset q (2) ; h q (0) ; u2 (pi/2,pi/2) q (1) ; incomplete (1Z) -2-{ ((2S,3S,5R) -5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl) -3-hydroxyoxolan-2-yl) methylidene} -2-cyano-1-({ ((2S,4R,5R) -2 group assignments, through two hydrogen-bonding interactions whenever a part into the S2 subsite of the structure relative to the complex between the 2-({[fluoro ({[ (2E) -5oxabicyclo [2.1.0] pentan-2-ylidene] cyano-lambda6-sulfanyl}) methyl]phosphorylidene} amino) -4,6dihydro-1H-purin-6-onecyano-1-({ ((2S,4R,5R) -2-methyl-2-(methylamino) -1,6-diazabicyclo with heptan-4-yl) oxy} imino) -1lambda5,2 lambda5-azaphosphiridin-1-ylium chemical groups of the cyclohexyl methyl is already recored and fragmented, the subsequent carbonyl oxygen matches have to be adjacent to the from the main-interacting chain amide of the residue Glu166 amino acid already occupied the space normally by the canonical S4…”
Section: Methodsmentioning
confidence: 99%
“…ylium binding site of the PDB:6LU7 main protease. (26,(31)(32)(33)(34)(35)(36)(37)(38)(39) As a first step, our Chern-Simons oriented fragmentation algorithm performs a quick fragmentation Scheme search for extracting different chemical groups formed by the nucleophilic attack of the catalytic domains of the target proteases onto the α-carbon of my new Roccustyrna small molecule by applying the heuristic quantum phases for group prioritization when performing parent-child group prioritization as described above. (29,(32)(33)(34)(35)(36)(37)(38)(39) This topology geometric for pharmacophoric search and design indicating the canonical binding pockets moieties of a new small-sized prototype that goes sequentially through a sorted fragmentation Scheme, adding groups that are found in its active conformation phases and do not overlap with the 2-…”
Section: Methodsmentioning
confidence: 99%
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