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Ruqing1963 / kakutani-statistical-pharmacology-I

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Paper I of "Statistical Pharmacology via Kakutani Dichotomy": the marginal drug Kakutani index (DKI) and the alpha_c = 1/2 criticality theorem for high-dimensional protein conformational ensembles. Paper (LaTeX/PDF), reproducible Python code, data and figures. DOI 10.5281/zenodo.23005921

reproducible-research drug-discovery riemann-zeta mathematical-biology allostery probability-theory euler-maclaurin phase-transitions hellinger-distance-criterion finite-size-scaling computational-pharmacology bost-connes critical-exponent kakutani-dichotomy product-measures conformational-ensembles statistical-pharmacology kms-states
  • Updated Sep 28, 2026
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Ruqing1963 / kakutani-statistical-pharmacology-V

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Paper V of Statistical Pharmacology via Kakutani Dichotomy: the chemical obstruction group Xi_beta^drug(S) = (Z/2Z)^{A_beta}, Borel-Cantelli tail order parameters, parity-cocycle invariance, and the relative-entropy staircase |A_beta| ln 2. Code, data, figure, LaTeX source and PDF.

reproducible-research statistical-mechanics allostery probability-theory symmetry-breaking order-parameters operator-algebras relative-entropy phase-transitions computational-pharmacology kakutani-dichotomy conformational-ensembles kms-states obstruction-group borel-cantelli
  • Updated Sep 29, 2026
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Ruqing1963 / kakutani-statistical-pharmacology-synthesis

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Kakutani–KMS theory of ligand-induced conformational phase transitions: integrating article of the Statistical Pharmacology via Kakutani Dichotomy series (Papers I–VII), with LaTeX source, PDF and verification script.

reproducible-research allostery protein-dynamics wasserstein-distance elastic-network-model computational-pharmacology kakutani-dichotomy conformational-ensembles statistical-pharmacology kms-states feldman-hajek mathematical-biophysics
  • Updated Sep 29, 2026
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Ruqing1963 / kakutani-statistical-pharmacology-VI

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Paper VI of Statistical Pharmacology via Kakutani Dichotomy: Wasserstein separation W_1(phi_+, phi_-) of broken phases under a Rieffel cone seminorm, certified to [0.229028, 0.229032]; the single-step scan barrier 5/12; discrete infinity-Laplacian cone geodesics; and a 2.77x FEP variance reduction for cooperative alchemical paths.

reproducible-research statistical-mechanics convex-optimization optimal-transport allostery symmetry-breaking free-energy-perturbation alchemical-free-energy walsh-functions wasserstein-distance second-order-cone-programming computational-pharmacology kakutani-dichotomy kms-states kantorovich-duality quantum-metric infinity-laplacian cone-geodesic thermodynamic-length
  • Updated Sep 29, 2026
  • TeX

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