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在“Elsevier电子期刊”中，命中：692条，耗时：0.0250199 秒

在所有数据库中总计命中：453条

1.Identification of allosteric binding sites for PI3Kα oncogenic mutant specific inhibitor design

作者：Michelle S. Miller^a ; Sweta Maheshwari^b ; Fiona M. McRobb^c ; Kenneth W. Kinzler^d ; L. Mario Amzel^b ; Bert Vogelstein^d ; Sandra B. Gabelli^a ; ^b ; ^e ; ^{gabelli@jhmi.edu}

关键词：PIK3CA ; PI3K ; PIP2 ; PIP3 ; Fragment-based drug discovery

刊名：Bioorganic & Medicinal Chemistry

出版年：2017

2.Identification of amino acids in antigen-binding site of class II HLA proteins independently associated with hepatitis B vaccine response

作者：Aiko Sakai^a ; ^{sakai-ygt@umin.ac.jp} ; Emiko Noguchi^b ; ^{enoguchi@md.tsukuba.ac.jp} ; Takashi Fukushima^a ; ^{tksfksm@md.tsukuba.ac.jp} ; Manabu Tagawa^a ; Atsushi Iwabuchi^a ; Masaki Kita^c ; Keisuke Kakisaka^d ; Akio Miyasaka^d ; Yasuhiro Takikawa^d ; Ryo Sumazaki^a ; ^{rsuma@md.tsukuba.ac.jp}

关键词：HBV ; hepatitis B virus ; anti-HBs ; antibody to hepatitis B surface antigen ; HBsAg ; hepatitis B surface antigen ; LD ; linkage disequilibrium ; PDB ; Protein Data Bank ; Leu26 ; leucine at position 26 ; GGPM ; glycine-glycine-proline-methionine ; DEAV ; aspartic acid-glutamic acid-alanine-valine

刊名：Vaccine

出版年：2017

3.HO-2 Pockets Myristoylated Gag

作者：Marilyn D. Resh¹ ; ^{reshm@mskcc.org}

刊名：Cell Host & Microbe

出版年：2017

4.Synthesis, anticholinesterase activity and molecular modeling study of novel carbamate-substituted thymol/carvacrol derivatives

作者：Belma Zengin Kurt^a ; Isil Gazioglu^b ; Aydan Dag^a ; Ramin Ekhteiari Salmas^c ; Gü ; lru Kayık^d ; Serdar Durdagi^c ; ^{serdar.durdagi@med.bau.edu.tr} ; Fatih Sonmez^e ; ^{fsonmez@sakarya.edu.tr}

关键词：Thymol ; Carvacrol ; Carbamate ; Alzheimer&rsquo ; s disease ; Molecular docking ; Molecular dynamics (MD) simulations ; MM-PBSA ; Induced fit docking (IFD)

刊名：Bioorganic & Medicinal Chemistry

出版年：2017

5.In vitro screening and in silico validation revealed key microbes for higher production of significant therapeutic enzyme l-asparaginase

作者：Archana Vimal ; Awanish Kumar ; ^{drawanishkr@gmail.com} ; ^{awanik.bt@nitrr.ac.in}

关键词：l-asparaginase ; Higher producer strains ; In vitro screening ; In silico validation ; Therapeutics

刊名：Enzyme and Microbial Technology

出版年：2017

6.PatchSurfers: Two methods for local molecular property-based binding ligand prediction

作者：Woong-Hee Shin^a ; Mark Gregory Bures^b ; Daisuke Kihara^a ; ^c ; ^{dkihara@purdue.edu" class="auth_mail" title="E-mail the corresponding author}

关键词：Structure&ndash ; function relationship ; 3D Zernike descriptor ; Protein function prediction ; Patch-Surfer ; Ligand&ndash ; protein interaction ; Ligand binding pockets

刊名：Methods

出版年：2016

7.Incorporation of side chain flexibility into protein binding pockets using MT_flex

作者：Nupur Bansal^a ; Zheng Zheng^a ; Kenneth M. Merz Jr.^a ; ^b ; ^{kmerz1@gmail.com" class="auth_mail" title="E-mail the corresponding author}

关键词：Movable Type method ; Receptor flexibility ; Binding free energy ; Docking ; Scoring

刊名：Bioorganic & Medicinal Chemistry

出版年：2016

8.Occupying a flat subpocket in a tRNA-modifying enzyme with ordered or disordered side chains: Favorable or unfavorable for binding?

作者：Manuel Neeb^a ; ^&dagger ; ; Christoph Hohn^b ; ^&dagger ; ; Frederik Rainer Ehrmann^a ; Adrian Hä ; rtsch^b ; Andreas Heine^a ; Franç ; ois Diederich^b ; Gerhard Klebe^a ; ^{klebe@mailer.uni-marburg.de" class="auth_mail" title="E-mail the corresponding author}

关键词：Drug design ; Protein&ndash ; ligand complexes ; Crystallography ; Flat-binding pockets ; Order-disorder phenomena ; Residual mobility

刊名：Bioorganic & Medicinal Chemistry

出版年：2016

9.Novel drug design for Chagas disease via targeting Trypanosoma cruzi tubulin: Homology modeling and binding pocket prediction on Trypanosoma cruzi tubulin polymerization inhibition by naphthoquinone derivatives

作者：Charles O. Ogindo^a ; Mozna H. Khraiwesh^b ; Matthew George Jr.^c ; Yakini Brandy^a ; Nailah Brandy^a ; Ayele Gugssa^b ; Mohammad Ashraf^d ; Muneer Abbas^e ; ^f ; William M. Southerland^c ; Clarence M. Lee^b ; Oladapo Bakare^a ; Yayin Fang^c ;

关键词：Chagas disease ; Trypanosoma cruzi ; Naphthoquinone derivatives ; Tubulin polymerization inhibition ; Homology modeling ; Binding site prediction ; Structure based drug design (SBDD)

刊名：Bioorganic & Medicinal Chemistry

出版年：2016

10.Design Principles for SuCESsFul Biosensors: Specific Fluorophore/Analyte Binding and Minimization of Fluorophore/Scaffold Interactions

作者：Seymour de Picciotto¹ ; Paige M. Dickson² ; Michael W. Traxlmayr³ ; Bryan S. Marques⁴ ; Elke Socher⁵ ; Sixing Zhao¹ ; Stephanie Cheung⁵ ; Jonathan D. Kiefer⁶ ; A. Joshua Wand⁴ ; Linda G. Griffith¹ ; ⁴ ; Barbara Imperiali⁵ ; ⁷ ; K. Dane Wittrup¹ ; ³ ; ⁸ ; ^{wittrup@MIT.EDU" class="auth_mail" title="E-mail the corresponding author}

关键词：SuCESsFul ; scaffold conjugated to environment-sensitive fluorophore ; YSD ; yeast surface display ; Fn3 ; 10th type 3 domain of human fibronectin ; FACS ; fluorescence-activated cell sorting ; SUMO ; small ubiquitylation-modified ; DARPin ; designed ankyrin repeat protein ; Sso7d ; small DNA-binding domain derived from Sulfolobus solfataricus ; BTC ; betacellulin ; EGF ; epidermal growth factor ; NBD ; nitrobenz-2-oxa-1 ; 3-diazole ; Badan ; 6-Bromoacetyl-2-dimethylaminonaphthalene ; 4-DMN ; 4-N ; N-dimethylamino-1 ; 8-nap

刊名：Journal of Molecular Biology

出版年：2016

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