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在“Elsevier电子期刊”中，命中：1,693条，耗时：0.0179906 秒

在所有数据库中总计命中：2,869条

1.Investigating carbohydrate based ligands for galectin-3 with docking and molecular dynamics studies

作者：Alice R. Walker^a ; ^&dagger ; ; Robin Bonomi^b ; Vadim Popov^b ; Juri G. Gelovani^b ; G. André ; s Cisneros^a ; ^&dagger ; ; ^{andres@unt.edu}

关键词：Galectin-3 ; Molecular dynamics ; Docking ; Carbohydrate based ligands

刊名：Journal of Molecular Graphics and Modelling

出版年：2017

2.Synthesis, anticancer, and docking studies of salicyl-hydrazone analogues: A novel series of small potent tropomyosin receptor kinase A inhibitors

作者：Mohammad Sayed Alam^a ; ^b ; Sang-Un Choi^c ; Dong-Ung Lee^a ; ^{dulee@dongguk.ac.kr}

关键词：Salicyl-hydrazones ; Cytotoxicity ; TrkA inhibitor ; Docking study ; Conformational analysis

刊名：Bioorganic & Medicinal Chemistry

出版年：2017

3.Synthesis, electronic structure and molecular docking of new organometallic palladium (II) complexes with intercalator ligands: The influence of bridged ligands on enhanced DNA/serum protein binding and in vitro antitumoral activity

作者：Kazem Karami^a ; ^{karami@cc.iut.ac.ir} ; Zohreh Mehri Lighvan^a ; Maryam Dehdashti Jahromi^a ; Janusz Lipkowski^b ; Amir Abbas Momtazi-borojeni^c

关键词：Palladacycle ; DNA-binding ; BSA binding ; Site markers

刊名：Journal of Organometallic Chemistry

出版年：2017

4.Spectroscopic and molecular docking studies on the interaction of human serum albumin with copper(II) complexes

作者：Bhargab Guhathakurta^a ; Ankur Bikash Pradhan^a ; Suman Das^a ; Nirmalya Bandyopadhyay^a ; Liping Lu^b ; Miaoli Zhu^b ; Jnan Prakash Naskar^a ; ^{jpnaskar@rediffmail.com}

关键词：Osazone ; Copper ; Crystal structure ; HSA binding ; Molecular docking

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2017

5.Benzoflavones as cholesterol esterase inhibitors: Synthesis, biological evaluation and docking studies

作者：Harbinder Singh^a ; Jatinder Vir Singh^a ; Manish K. Gupta^b ; Palwinder Singh^c ; Sahil Sharma^a ; ^{ss.gq2009@gmail.com} ; Kunal Nepali^a ; ; Preet Mohinder S. Bedi^a ;

关键词：Benzoflavone ; Baker Venkataraman rearrangement ; Cholesterol esterase inhibition ; Enzyme kinetics ; Docking studies

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

6.Kinetic characterization and molecular docking of novel allosteric inhibitors of aminoglycoside phosphotransferases

作者：Nadia Leban^a ; ¹ ; Elise Kaplan^a ; ² ; Laurent Chaloin^a ; Sylvain Godreuil^b ; Corinne Lionne^a ; ³ ; ^{lionne@cbs.cnrs.fr}

关键词：AME ; aminoglycoside-modifying enzyme ; AAC ; aminoglycoside N-acetyltransferase ; ANT ; aminoglycoside O-nucleotidyltransferase ; APH ; aminoglycoside O-phosphotransferase ; GOLD ; Genetic Optimization for Ligand Docking

刊名：Biochimica et Biophysica Acta (BBA) - General Subjects

出版年：2017

7.Evaluation of DNA/Protein interactions and cytotoxic studies of copper(II) complexes incorporated with N, N donor ligands and terpyridine ligand

作者：Kiran Tummalapalli^a ; Vasavi C.S^b ; Punnagai Munusami^c ; Madhvesh Pathak^a ; ^{madhveshpathak@vit.ac} ; Balamurali M.M.^a ; ^{balamurali.mm@vit.ac.in}

关键词：Copper(II) complexes ; DNA and protein binding studies ; Molecular docking ; Density Functional Theory (DFT) calculations and cytotoxicity studies

刊名：International Journal of Biological Macromolecules

出版年：2017

8.Discovery of nanomolar ligands with novel scaffolds for the histamine H4 receptor by virtual screening

作者：Nicolas Levoin ; ^{n.levoin@bioprojet.com} ; Olivier Labeeuw ; Xavier Billot ; Thierry Calmels ; Denis Danvy¹ ; Sté ; phane Krief ; Isabelle Berrebi-Bertrand ; Jeanne-Marie Lecomte ; Jean-Charles Schwartz ; Marc Capet

关键词：Histamine ; Virtual screening ; H4 receptor ; Homology model ; Docking ; Drug discovery

刊名：European Journal of Medicinal Chemistry

出版年：2017

9.Structural insights, protein-ligand interactions and spectroscopic characterization of isoformononetin

作者：Anubha Srivastava^a ; ^{anubhaphysics@gmail.com} ; ^{anubha1984@rediffmail.com} ; Harshita Singh^a ; Rashmi Mishra^b ; Kapil Dev^c ; Poonam Tandon^a ; ^{poonam_tandon@yahoo.co.uk} ; ^{poonam_tandon@hotmail.com} ; Rakesh Maurya^c

关键词：Isofomononetin ; FT-Raman ; FT-IR ; NMR ; UV&ndash ; vis spectra ; Molecular docking

刊名：Journal of Molecular Structure

出版年：2017

10.Discovery of new MurA inhibitors using induced-fit simulation and docking

作者：Kaja Rožman^a ; Samo Le&scaron ; nik^b ; Boris Brus^a ; Martina Hrast^a ; Matej Sova^a ; Delphine Patin^c ; Hé ; lè ; ne Barreteau^c ; Janez Konc^b ; ^d ; Du&scaron ; anka Janežič^d ; ^{dusanka.janezic@upr.si} ; Stanislav Gobec^a ; ^{stanislav.gobec@ffa.uni-lj.si}

关键词：MurA inhibitors ; ProBiS-CHARMMing web server ; Induced fit ; Small-molecule inhibitors ; Antibacterial agents

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

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