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Experimental characterization and molecular dynamic simulation of ketoprofen-cyclodextrin complexes Journal article
CHEMICAL PHYSICS LETTERS, 2019,Volume: 736
Authors:  Qianqian Zhao;  Haoshi Gao;  Yan Su;  Tianhe Huang;  Jiahong Lu;  Hua Yu;  Defang Ouyang
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Ketoprofen  Cyclodextrin Complexation  Molecular Dynamic Simulation  Molecular Mechanism  Binary System  
Molecular Interactions for the Curcumin-Polymer Complex with Enhanced Anti-Inflammatory Effects Journal article
PHARMACEUTICS, 2019,Volume: 11,Issue: 9
Authors:  Yan He;  Hongfei Liu;  Wangqing Bian;  Yue Liu;  Xinyang Liu;  Shijing Ma;  Xi Zheng;  Zhiyun Du;  Kun Zhang;  Defang Ouyang
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Curcumin  Polyvinylpyrrolidone (Pvp)  Solid Dispersions  Molecular Modeling  Drug-polymer Interactions  
Insight into the Dissolution Molecular Mechanism of Ternary Solid Dispersions by Combined Experiments and Molecular Simulations Journal article
AAPS PHARMSCITECH, 2019,Volume: 20,Issue: 7
Authors:  Run Han;  Tianhe Huang;  Xinyang Liu;  Xinyang Liu;  Haifeng Li;  Jiahong Lu;  Yuanhui Ji;  Huimin Sun;  Defang Ouyang
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Solid Dispersion  Dissolution Effect  Molecular Modeling  Ternary System  
Triangular Regulation of Cucurbit[8]uril 1:1 Complexes Journal article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2019,Volume: 141,Issue: 14,Page: 5897-5907
Authors:  Sébastien Combes;  Khoa Truong Tran;  Mehmet Menaf Ayhan;  Hakim Karoui;  Antal Rockenbauer;  Alain Tonetto;  Valérie Monnier;  Laurence Charles;  Roselyne Rosas;  Stéphane Viel;  Didier Siri;  Paul Tordo;  Sylvain Clair;  Ruibing Wang;  David Bardelang;  Olivier Ouari
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Investigating molecular interactions of high-loaded glipizide-HPMCAS microparticles by integrated experimental and modeling techniques Journal article
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2019,Volume: 131,Page: 127-135
Authors:  Qiang Li;  Qianqian Zhao;  Qiufang Jing;  Xiaosi Ma;  Ning Chen;  Guobin Ren;  Defang Ouyang;  Fuzheng Ren
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Glipizide  Hydroxypropyl Methylcellulose Acetate  Succinate (Hpmcas)  Molecular Interaction  Molecular Dynamics Simulation  
Characteristics and molecular determinants of a highly selective and efficient glycyrrhizin-hydrolyzing beta-glucuronidase from Staphylococcus pasteuri 3I10 Journal article
APPLIED MICROBIOLOGY AND BIOTECHNOLOGY, 2018,Volume: 102,Issue: 21,Page: 9193-9205
Authors:  Wei, Bin;  Wang, Pan-Pan;  Yan, Zhi-Xiang;  Yan, Ru
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Staphylococcus pasteuri  Bacterial beta-glucuronidase  Glycyrrhizin  Glycyrrhetinic acid  Deglucuronidation  Homology modeling  
Comprehensive Molecular Characterization of the Hippo Signaling Pathway in Cancer Journal article
Cell Reports, 2018,Volume: 25,Issue: 5,Page: 1304-1317.e5
Authors:  Wang Y.;  Xu X.;  Maglic D.;  Dill M.T.;  Mojumdar K.;  Ng P.K.-S.;  Jeong K.J.;  Tsang Y.H.;  Moreno D.;  Bhavana V.H.;  Peng X.;  Ge Z.;  Chen H.;  Li J.;  Chen Z.;  Zhang H.;  Han L.;  Du D.;  Creighton C.J.;  Mills G.B.;  Caesar-Johnson S.J.;  Demchok J.A.;  Felau I.;  Kasapi M.;  Ferguson M.L.;  Hutter C.M.;  Sofia H.J.;  Tarnuzzer R.;  Wang Z.;  Yang L.;  Zenklusen J.C.;  Zhang J.J.;  Chudamani S.;  Liu J.;  Lolla L.;  Naresh R.;  Pihl T.;  Sun Q.;  Wan Y.;  Wu Y.;  Cho J.;  DeFreitas T.;  Frazer S.;  Gehlenborg N.;  Getz G.;  Heiman D.I.;  Kim J.;  Lawrence M.S.;  Lin P.;  Meier S.;  Noble M.S.;  Saksena G.;  Voet D.;  Zhang H.;  Bernard B.;  Chambwe N.;  Dhankani V.;  Knijnenburg T.;  Kramer R.;  Leinonen K.;  Liu Y.;  Miller M.;  Reynolds S.;  Shmulevich I.;  Thorsson V.;  Zhang W.;  Akbani R.;  Broom B.M.;  Hegde A.M.;  Ju Z.;  Kanchi R.S.;  Korkut A.;  Li J.;  Liang H.;  Ling S.;  Liu W.;  Lu Y.;  Mills G.B.;  Ng K.-S.;  Rao A.;  Ryan M.;  Wang J.;  Weinstein J.N.;  Zhang J.;  Abeshouse A.;  Armenia J.;  Chakravarty D.;  Chatila W.K.;  de Bruijn I.;  Gao J.;  Gross B.E.;  Heins Z.J.;  Kundra R.;  La K.;  Ladanyi M.;  Luna A.;  Nissan M.G.;  Ochoa A.;  Phillips S.M.;  Reznik E.;  Sanchez-Vega F.;  Sander C.;  Schultz N.;  Sheridan R.;  Sumer S.O.;  Sun Y.;  Taylor B.S.;  Wang J.;  Zhang H.;  Anur P.;  Peto M.;  Spellman P.;  Benz C.;  Stuart J.M.;  Wong C.K.;  Yau C.;  Hayes D.N.;  Parker J.S.;  Wilkerson M.D.;  Ally A.;  Balasundaram M.;  Bowlby R.;  Brooks D.;  Carlsen R.;  Chuah E.;  Dhalla N.;  Holt R.;  Jones S.J.M.;  Kasaian K.;  Lee D.;  Ma Y.;  Marra M.A.;  Mayo M.;  Moore R.A.;  Mungall A.J.;  Mungall K.;  Robertson A.G.;  Sadeghi S.;  Schein J.E.;  Sipahimalani P.;  Tam A.;  Thiessen N.;  Tse K.;  Wong T.;  Berger A.C.;  Beroukhim R.;  Cherniack A.D.;  Cibulskis C.;  Gabriel S.B.;  Gao G.F.;  Ha G.;  Meyerson M.;  Schumacher S.E.;  Shih J.;  Kucherlapati M.H.;  Kucherlapati R.S.;  Baylin S.;  Cope L.;  Danilova L.;  Bootwalla M.S.;  Lai P.H.;  Maglinte D.T.;  Van Den Berg D.J.;  Weisenberger D.J.;  Auman J.T.;  Balu S.;  Bodenheimer T.;  Fan C.;  Hoadley K.A.;  Hoyle A.P.;  Jefferys S.R.;  Jones C.D.;  Meng S.;  Mieczkowski P.A.;  Mose L.E.;  Perou A.H.;  Perou C.M.;  Roach J.;  Shi Y.;  Simons J.V.;  Skelly T.;  Soloway M.G.;  Tan D.;  Veluvolu U.;  Fan H.;  Hinoue T.;  Laird P.W.;  Shen H.;  Zhou W.;  Bellair M.;  Chang K.;  Covington K.;  Creighton C.J.;  Dinh H.;  Doddapaneni H.;  Donehower L.A.;  Drummond J.;  Gibbs R.A.;  Glenn R.;  Hale W.;  Han Y.;  Hu J.;  Korchina V.;  Lee S.;  Lewis L.;  Li W.;  Liu X.;  Morgan M.;  Morton D.;  Muzny D.;  Santibanez J.;  Sheth M.;  Shinbrot E.;  Wang L.;  Wang M.;  Wheeler D.A.;  Xi L.;  Zhao F.;  Hess J.;  Appelbaum E.L.;  Bailey M.;  Cordes M.G.;  Ding L.;  Fronick C.C.;  Fulton L.A.;  Fulton R.S.;  Kandoth C.;  Mardis E.R.;  McLellan M.D.;  Miller C.A.;  Schmidt H.K.;  Wilson R.K.;  Crain D.;  Curley E.;  Gardner J.;  Lau K.;  Mallery D.;  Morris S.;  Paulauskis J.;  Penny R.;  Shelton C.;  Shelton T.;  Sherman M.;  Thompson E.;  Yena P.;  Bowen J.;  Gastier-Foster J.M.;  Gerken M.;  Leraas K.M.;  Lichtenberg T.M.;  Ramirez N.C.;  Wise L.;  Zmuda E.;  Corcoran N.;  Costello T.;  Hovens C.;  Carvalho A.L.;  de Carvalho A.C.;  Fregnani J.H.;  Longatto-Filho A.;  Reis R.M.;  Scapulatempo-Neto C.;  Silveira H.C.S.;  Vidal D.O.;  Burnette A.;  Eschbacher J.;  Hermes B.;  Noss A.;  Singh R.;  Anderson M.L.;  Castro P.D.;  Ittmann M.;  Huntsman D.;  Kohl B.;  Le X.;  Thorp R.;  Andry C.;  Duffy E.R.;  Lyadov V.;  Paklina O.;  Setdikova G.;  Shabunin A.;  Tavobilov M.;  McPherson C.;  Warnick R.;  Berkowitz R.;  Cramer D.;  Feltmate C.;  Horowitz N.;  Kibel A.;  Muto M.;  Raut C.P.;  Malykh A.;  Barnholtz-Sloan J.S.;  Barrett W.;  Devine K.;  Fulop J.;  Ostrom Q.T.;  Shimmel K.;  Wolinsky Y.;  Sloan A.E.;  De Rose A.;  Giuliante F.;  Goodman M.;  Karlan B.Y.;  Hagedorn C.H.;  Eckman J.;  Harr J.;  Myers J.;  Tucker K.;  Zach L.A.;  Deyarmin B.;  Hu H.;  Kvecher L.;  Larson C.;  Mural R.J.;  Somiari S.;  Vicha A.;  Zelinka T.;  Bennett J.;  Iacocca M.;  Rabeno B.;  Swanson P.;  Latour M.;  Lacombe L.;  Tetu B.;  Bergeron A.;  McGraw M.;  Staugaitis S.M.;  Chabot J.;  Hibshoosh H.;  Sepulveda A.;  Su T.;  Wang T.;  Potapova O.;  Voronina O.;  Desjardins L.;  Mariani O.;  Roman-Roman S.;  Sastre X.;  Stern M.-H.;  Cheng F.;  Signoretti S.;  Berchuck A.;  Bigner D.;  Lipp E.;  Marks J.;  McCall S.;  McLendon R.;  Secord A.;  Sharp A.;  Behera M.;  Brat D.J.;  Chen A.;  Delman K.;  Force S.;  Khuri F.;  Magliocca K.;  Maithel S.;  Olson J.J.;  Owonikoko T.;  Pickens A.;  Ramalingam S.;  Shin D.M.;  Sica G.;  Van Meir E.G.;  Zhang H.;  Eijckenboom W.;  Gillis A.;  Korpershoek E.;  Looijenga L.;  Oosterhuis W.;  Stoop H.;  van Kessel K.E.;  Zwarthoff E.C.;  Calatozzolo C.;  Cuppini L.;  Cuzzubbo S.;  DiMeco F.;  Finocchiaro G.;  Mattei L.;  Perin A.;  Pollo B.;  Chen C.;  Houck J.;  Lohavanichbutr P.;  Hartmann A.;  Stoehr C.;  Stoehr R.;  Taubert H.;  Wach S.;  Wullich B.;  Kycler W.;  Murawa D.;  Wiznerowicz M.;  Chung K.;  Edenfield W.J.;  Martin J.;  Baudin E.;  Bubley G.;  Bueno R.;  De Rienzo A.;  Richards W.G.;  Kalkanis S.;  Mikkelsen T.;  Noushmehr H.;  Scarpace L.;  Girard N.;  Aymerich M.;  Campo E.;  Gine E.;  Guillermo A.L.;  Van Bang N.;  Hanh P.T.;  Phu B.D.;  Tang Y.;  Colman H.;  Evason K.;  Dottino P.R.;  Martignetti J.A.;  Gabra H.;  Juhl H.;  Akeredolu T.;  Stepa S.;  Hoon D.;  Ahn K.;  Kang K.J.;  Beuschlein F.;  Breggia A.;  Birrer M.;  Bell D.;  Borad M.;  Bryce A.H.;  Castle E.;  Chandan V.;  Cheville J.;  Copland J.A.;  Farnell M.;  Flotte T.;  Giama N.;  Ho T.;  Kendrick M.;  Kocher J.-P.;  Kopp K.;  Moser C.;  Nagorney D.;  O'Brien D.;  O'Neill B.P.;  Patel T.;  Petersen G.;  Que F.;  Rivera M.;  Roberts L.;  Smallridge R.;  Smyrk T.;  Stanton M.;  Thompson R.H.;  Torbenson M.;  Yang J.D.;  Zhang L.;  Brimo F.;  Ajani J.A.;  Gonzalez A.M.A.;  Behrens C.;  Bondaruk J.;  Broaddus R.;  Czerniak B.;  Esmaeli B.;  Fujimoto J.;  Gershenwald J.;  Guo C.;  Lazar A.J.;  Logothetis C.;  Meric-Bernstam F.;  Moran C.;  Ramondetta L.;  Rice D.;  Sood A.;  Tamboli P.;  Thompson T.;  Troncoso P.;  Tsao A.;  Wistuba I.;  Carter C.;  Haydu L.;  Hersey P.;  Jakrot V.;  Kakavand H.;  Kefford R.;  Lee K.;  Long G.;  Mann G.;  Quinn M.;  Saw R.;  Scolyer R.;  Shannon K.;  Spillane A.;  Stretch J.;  Synott M.;  Thompson J.;  Wilmott J.;  Al-Ahmadie H.;  Chan T.A.;  Ghossein R.;  Gopalan A.;  Levine D.A.;  Reuter V.;  Singer S.;  Singh B.;  Tien N.V.;  Broudy T.;  Mirsaidi C.;  Nair P.;  Drwiega P.;  Miller J.;  Smith J.;  Zaren H.;  Park J.-W.;  Hung N.P.;  Kebebew E.;  Linehan W.M.;  Metwalli A.R.;  Pacak K.;  Pinto P.A.;  Schiffman M.;  Schmidt L.S.;  Vocke C.D.;  Wentzensen N.;  Worrell R.;  Yang H.;  Moncrieff M.;  Goparaju C.;  Melamed J.;  Pass H.;  Botnariuc N.;  Caraman I.;  Cernat M.;  Chemencedji I.;  Clipca A.;  Doruc S.;  Gorincioi G.;  Mura S.;  Pirtac M.;  Stancul I.;  Tcaciuc D.;  Albert M.;  Alexopoulou I.;  Arnaout A.;  Bartlett J.;  Engel J.;  Gilbert S.;  Parfitt J.;  Sekhon H.;  Thomas G.;  Rassl D.M.;  Rintoul R.C.;  Bifulco C.;  Tamakawa R.;  Urba W.;  Hayward N.;  Timmers H.;  Antenucci A.;  Facciolo F.;  Grazi G.;  Marino M.;  Merola R.;  de Krijger R.;  Gimenez-Roqueplo A.-P.;  Piche A.;  Chevalier S.;  McKercher G.;  Birsoy K.;  Barnett G.;  Brewer C.;  Farver C.;  Naska T.;  Pennell N.A.;  Raymond D.;  Schilero C.;  Smolenski K.;  Williams F.;  Morrison C.;  Borgia J.A.;  Liptay M.J.;  Pool M.;  Seder C.W.;  Junker K.;  Omberg L.;  Dinkin M.;  Manikhas G.;  Alvaro D.;  Bragazzi M.C.;  Cardinale V.;  Carpino G.;  Gaudio E.;  Chesla D.;  Cottingham S.;  Dubina M.;  Moiseenko F.;  Dhanasekaran R.;  Becker K.-F.;  Janssen K.-P.;  Slotta-Huspenina J.;  Abdel-Rahman M.H.;  Aziz D.;  Bell S.;  Cebulla C.M.;  Davis A.;  Duell R.;  Elder J.B.;  Hilty J.;  Kumar B.;  Lang J.;  Lehman N.L.;  Mandt R.;  Nguyen P.;  Pilarski R.;  Rai K.;  Schoenfield L.;  Senecal K.;  Wakely P.;  Hansen P.;  Lechan R.;  Powers J.;  Tischler A.;  Grizzle W.E.;  Sexton K.C.;  Kastl A.;  Henderson J.;  Porten S.;  Waldmann J.;  Fassnacht M.;  Asa S.L.;  Schadendorf D.;  Couce M.;  Graefen M.;  Huland H.;  Sauter G.;  Schlomm T.;  Simon R.;  Tennstedt P.;  Olabode O.;  Nelson M.;  Bathe O.;  Carroll P.R.;  Chan J.M.;  Disaia P.;  Glenn P.;  Kelley R.K.;  Landen C.N.;  Phillips J.;  Prados M.;  Simko J.;  Smith-McCune K.;  VandenBerg S.;  Roggin K.;  Fehrenbach A.;  Kendler A.;  Sifri S.;  Steele R.;  Jimeno A.;  Carey F.;  Forgie I.;  Mannelli M.;  Carney M.;  Hernandez B.;  Campos B.;  Herold-Mende C.;  Jungk C.;  Unterberg A.;  von Deimling A.;  Bossler A.;  Galbraith J.;  Jacobus L.;  Knudson M.;  Knutson T.;  Ma D.;  Milhem M.;  Sigmund R.;  Godwin A.K.;  Madan R.;  Rosenthal H.G.;  Adebamowo C.;  Adebamowo S.N.;  Boussioutas A.;  Beer D.;  Giordano T.;  Mes-Masson A.-M.;  Saad F.;  Bocklage T.;  Landrum L.;  Mannel R.;  Moore K.;  Moxley K.;  Postier R.;  Walker J.;  Zuna R.;  Feldman M.;  Valdivieso F.;  Dhir R.;  Luketich J.;  Pinero E.M.M.;  Quintero-Aguilo M.;  Carlotti C.G.;  Dos Santos J.S.;  Kemp R.;  Sankarankuty A.;  Tirapelli D.;  Catto J.;  Agnew K.;  Swisher E.;  Creaney J.;  Robinson B.;  Shelley C.S.;  Godwin E.M.;  Kendall S.;  Shipman C.;  Bradford C.;  Carey T.;  Haddad A.;  Moyer J.;  Peterson L.;  Prince M.;  Rozek L.;  Wolf G.;  Bowman R.;  Fong K.M.;  Yang I.;  Korst R.;  Rathmell W.K.;  Fantacone-Campbell J.L.;  Hooke J.A.;  Kovatich A.J.;  Shriver C.D.;  DiPersio J.;  Drake B.;  Govindan R.;  Heath S.;  Ley T.;  Van Tine B.;  Westervelt P.;  Rubin M.A.;  Lee J.I.;  Aredes N.D.;  Mariamidze A.;  Camargo F.;  Liang H.
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driver mutation  miRNA regulation  pan-cancer analysis  pathway activity  prognostic power  TAZ  TCGA  tumor subtype  YAP  
A hybrid cuckoo search and differential evolution approach to protein–ligand docking Journal article
International Journal of Molecular Sciences, 2018,Volume: 19,Issue: 10
Authors:  Lin H.;  Siu S.W.I.
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Autodock vina  Conformational search  Cuckoo search  CuckooVina  Differential evolution  Metaheuristic  Optimization  PSOvina  Structure-based drug design  
UPLC/Q-TOFMS-Based Metabolomics Approach to Reveal the Protective Role of Other Herbs in An-Gong-Niu-Huang Wan Against the Hepatorenal Toxicity of Cinnabar and Realgar Journal article
FRONTIERS IN PHARMACOLOGY, 2018,Volume: 9
Authors:  Xia, Fangbo;  Li, Ao;  Chai, Yushuang;  Xiao, Xiao;  Wan, Jianbo;  Li, Peng;  Wang, Yitao
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An-gong-niu-huang Wan  Cinnabar  Realgar  Metabonomics  Detoxification  Inflammation  
Metal Actuated Ring Translocation Switches in Water Journal article
ORGANIC LETTERS, 2018,Volume: 20,Issue: 11,Page: 3187-3191
Authors:  Yin, Hang;  Rosas, Roselyne;  Gigmes, Didier;  Ouar, Olivier;  Wang, Ruibing;  Kermagoret, Anthony;  Bardelang, David
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