Molecular docking: a powerful approach for structure-based drug discovery - Wikidata - wikimedia - TriplyDB

Molecular docking: a powerful approach for structure-based drug discovery

Molecular docking: a powerful approach for structure-based drug discovery

http://www.wikidata.org/entity/Q35150471

about

Molecular docking as a popular tool in drug design, an in silico travel Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors Molecular docking and structure-based drug design strategies Structure-based virtual screening for drug discovery: a problem-centric review Binding interaction of a gamma-aminobutyric acid derivative with serum albumin: an insight by fluorescence and molecular modeling analysis Discovery of Mer kinase inhibitors by virtual screening using Structural Protein-Ligand Interaction Fingerprints.Looking for inhibitors of the dengue virus NS5 RNA-dependent RNA-polymerase using a molecular docking approach A computational approach to evaluate the androgenic affinity of iprodione, procymidone, vinclozolin and their metabolites Analysing the Effect of Mutation on Protein Function and Discovering Potential Inhibitors of CDK4: Molecular Modelling and Dynamics Studies dMM-PBSA: A New HADDOCK Scoring Function for Protein-Peptide Docking Is It Reliable to Use Common Molecular Docking Methods for Comparing the Binding Affinities of Enantiomer Pairs for Their Protein Target?Antinociceptive Activity of Borreria verticillata: In vivo and In silico Studies.Predicting perfect drug candidates: Molecular docking 2.0.Synergistic antibacterial effects of herbal extracts and antibiotics on methicillin-resistant Staphylococcus aureus: A computational and experimental study.POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics A simple assay to screen antimicrobial compounds potentiating the activity of current antibiotics.Integrating virtual and biochemical screening for protein tyrosine phosphatase inhibitor discovery.Multipose binding in molecular docking.Focused chemical libraries--design and enrichment: an example of protein-protein interaction chemical space.Creating and virtually screening databases of fluorescently-labelled compounds for the discovery of target-specific molecular probes.P-glycoprotein induction in Caco-2 cells by newly synthetized thioxanthones prevents paraquat cytotoxicity.Structure-Based Virtual Screening of Commercially Available Compound Libraries.A 2D-QSAR and Grid-Independent Molecular Descriptor (GRIND) Analysis of Quinoline-Type Inhibitors of Akt2: Exploration of the Binding Mode in the Pleckstrin Homology (PH) Domain Docking into Mycobacterium tuberculosis Thioredoxin Reductase Protein Yields Pyrazolone Lead Molecules for Methicillin-Resistant Staphylococcus aureus Spresso: An ultrafast compound pre-screening method based on compound decomposition.Design, synthesis, and antihypertensive activity of curcumin-inspired compounds via ACE inhibition and vasodilation, along with a bioavailability study for possible benefit in cardiovascular diseases.Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands.Computational Approach Towards Exploring Potential Anti-Chikungunya Activity of Selected Flavonoids.In silico methods for drug repurposing and pharmacology Mechanism of artemisinin resistance for malaria PfATP6 L263 mutations and discovering potential antimalarials: An integrated computational approach.N-Acetylglucosamine Inhibits LuxR, LasR and CviR Based Quorum Sensing Regulated Gene Expression Levels.Design, Synthesis and Antifungal Activity Evaluation of New Thiazolin-4-ones as Potential Lanosterol 14α-Demethylase Inhibitors Novel aromatase inhibitors selection using induced fit docking and extra precision methods: Potential clinical use in ER-alpha-positive breast cancer.An infrastructure to mine molecular descriptors for ligand selection on virtual screening.Prediction of antibody structural epitopes via random peptide library screening and next generation sequencing.In silico studies in drug research against neurodegenerative diseases.Advantages of Structure-Based Drug design Approaches in Neurological Disorders.Innovative computer-aided methods for the discovery of new kinase ligands.Medicinal Chemistry Strategies to Disrupt the p53-MDM2/MDMX Interaction.Targeting CYP51 for drug design by the contributions of molecular modeling.

P2860

Q26743663-48303518-7403-4F93-9FE5-FA3C90788E18 Q26777448-A9395D02-2AFD-4184-A267-F4231BA0811C Q26800097-91B1E98C-FCDC-448A-8E65-CE1E6717863B Q27022502-FEDE9080-B6E3-4F80-A1F3-9E382F9F48C7 Q27318662-BDA03258-DB6E-4416-BEEA-8F6558395B13 Q27325512-4485F65F-5DEB-4CF2-8927-28C43A9D3AD9 Q27928028-23722543-B377-4EA4-8FFC-FB993CC1CF95 Q28541770-B43B4F51-DF53-44C9-9407-B527DA8CDE32 Q28547120-26E64FA4-8D79-4EDB-A398-510E80A9BD48 Q28596516-2629C085-1403-4527-A0C1-49846F481D44 Q28833848-E43AF756-EEF4-4172-A65C-12EA4CAE7F9E Q33710983-8CDA58CA-45F0-4C5A-B652-63D9C805916B Q33900947-5F6D33F8-34E2-4E85-A778-81E7F7E12A97 Q34047858-38AFE7D5-1B71-4818-9B6C-ABEE7568479C Q34503061-93CF5021-2F6F-416B-8099-DE5751F47BE0 Q34830742-061C3DC5-CDD2-445D-9550-F109CF29E4F4 Q34967191-35D87693-DE0D-4B96-90FE-32A2B83A7AE0 Q35096124-A0DF217A-15B2-4C1D-ADA1-454B4527A16B Q35158672-3164E577-003B-405A-AE1E-3E5A02367F07 Q35230342-B0BADA44-7E88-4AF8-9B23-142993F2E7C9 Q35262608-683FC535-E6C0-4BC4-A058-BF5B7766649C Q36055836-8C89B1F1-7858-4F91-8DBF-061621CDDA65 Q36236507-CFDA4F74-183B-406C-9689-628C479B4F54 Q36263680-5AD7AC2B-F295-4EEE-9340-1F65282AAF3F Q36332172-5F779E50-6F0F-4249-8A35-47287D1793EA Q36451708-8256F5AF-BFDB-465D-991C-08B5823668F4 Q36658263-BC721271-43F9-467F-96A2-A9C4158E2CAE Q36793086-B23474BD-9A7B-408A-A2FE-A9A69DDBEC28 Q36837816-4E6A7F8F-7AB5-4837-B54C-17A16B750920 Q37137479-35E1C194-E3D0-4DB5-BEA0-F43286BCEB66 Q37195460-F98E9EBD-F858-4FA4-A809-E4833A14B7AC Q37631651-9008CF9C-145B-4906-B5A3-D3B5B1F62735 Q37658821-4F5640FF-D423-416D-A01D-435A2A085D41 Q38398056-6B8C110E-1937-4BE6-B141-90738CE52602 Q38615603-3C4332B5-6309-49CF-8E1F-9A684783DF85 Q38638421-C0A517ED-377A-4DEC-B837-7BD2849FC565 Q38775661-1DB850B3-3D24-450E-AFC6-86896F0C32C6 Q38814898-15FAC863-6F7C-4462-8637-F4884AAA6794 Q38865504-8A9BAA20-2725-4A86-9274-D0B6A7685678 Q38917135-C0C25EF5-0A1E-4824-ADDE-AA8480930480

P2860

Molecular docking: a powerful approach for structure-based drug discovery

http://www.wikidata.org/entity/Q35150471

description

2011 nî lūn-bûn

@nan

2011 թուականի Յունիսին հրատարակուած գիտական յօդուած

@hyw

2011 թվականի հունիսին հրատարակված գիտական հոդված

@hy

2011年の論文

@ja

2011年論文

@yue

2011年論文

@zh-hant

2011年論文

@zh-hk

2011年論文

@zh-mo

2011年論文

@zh-tw

2011年论文

@wuu

name

Molecular docking: a powerful approach for structure-based drug discovery

@ast

Molecular docking: a powerful approach for structure-based drug discovery

@en

type

label

Molecular docking: a powerful approach for structure-based drug discovery

@ast

Molecular docking: a powerful approach for structure-based drug discovery

@en

prefLabel

Molecular docking: a powerful approach for structure-based drug discovery

@ast

Molecular docking: a powerful approach for structure-based drug discovery

@en

P1433

Q35150471-76842105-F5F1-433A-BC93-CEB9994FBDB1

P1476

Q35150471-0121DD64-F733-48D4-8D1B-4DAA407975BC

P2093

Q35150471-15DD2736-AFE5-406E-9BE7-BB40D2FCD910

Q35150471-B69AE291-20EB-40B2-9743-51D4276F5DCF

Q35150471-B77E0904-074D-498B-8F1A-143943D069D1

Q35150471-D7B55AB1-0601-470B-8020-30F16550A909

P2860

Q35150471-00BE1128-3B32-416B-B2A2-B1BBC86C2E06

Q35150471-0199DC9E-1BF9-434B-A895-89D7785B1CC1

Q35150471-0361B50E-830A-4C61-BCB0-70F49687F6F5

Q35150471-06DC26BD-42FD-43D6-8322-0BAA147175D4

Q35150471-0839FAE3-3201-450C-8A99-8AF9E7501E05

Q35150471-0873B176-6468-4ED5-B0F0-FFDF36F63612

Q35150471-0AFFD8DF-FFC6-43A4-BD95-0D8FAEB12518

Q35150471-0CEDC68B-816F-46B7-A2BC-4471D9FF98D3

Q35150471-1067ADC6-6940-468E-BAF3-5F3892A4DC0B

Q35150471-1115F914-EE7A-4C09-AEB3-960A21DEE2DA

P304

Q35150471-DB5AC049-455E-44FC-B5C0-1D73C4A6B240

P31

Q35150471-1A58C7A6-B37F-4892-93BB-4F270457CE5A

P356

Q35150471-ABA56122-364B-4168-86EA-88E8A851696C

P433

Q35150471-D49E56C7-367A-472F-9158-02FBCA199F42

P478

Q35150471-740F4F79-5C7F-4893-8D63-3BB153E631F9

P577

Q35150471-D9C1B971-56F1-419D-A65B-89E8FE67A872

P5875

Q35150471-9831CB7E-F6A1-456A-8CBA-D90BE34E3850

P698

Q35150471-84FD97D9-1CA9-47D4-8C17-2B7BB3266D4C

P932

Q35150471-8BC176F2-6EEF-4CE4-A53D-A98BA7E4EE09

P356

157340911795677602

P1433

Current computer-aided drug design

P1476

Molecular docking: a powerful approach for structure-based drug discovery

@en

P2093

Hong-Xing Zhang

http://www.w3.org/2001/XMLSchema#string

Meng Cui

http://www.w3.org/2001/XMLSchema#string

Mihaly Mezei

http://www.w3.org/2001/XMLSchema#string

Xuan-Yu Meng

http://www.w3.org/2001/XMLSchema#string

P2860

Flexible ligand docking using conformational ensembles

DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

Crystal structure of human cytochrome P450 2C9 with bound warfarin

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Multiple conformational changes in enzyme catalysis

Gaussian docking functions

Bromodomain: an acetyl-lysine binding domain

Principles of docking: An overview of search algorithms and a guide to scoring functions

Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors

Development and validation of a genetic algorithm for flexible docking

P304

146-157

http://www.w3.org/2001/XMLSchema#string

P31

scholarly article

P356

10.2174/157340911795677602

http://www.w3.org/2001/XMLSchema#string

P433

2

http://www.w3.org/2001/XMLSchema#string

P478

7

http://www.w3.org/2001/XMLSchema#string

P577

2011-06-01T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P5875

51090998

http://www.w3.org/2001/XMLSchema#string

P698

21534921

http://www.w3.org/2001/XMLSchema#string

P932

3151162

http://www.w3.org/2001/XMLSchema#string