about
Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the FutureMolecular docking and structure-based drug design strategiesHit identification and optimization in virtual screening: practical recommendations based on a critical literature analysisChemical libraries dedicated to protein-protein interactionsShifting from the single to the multitarget paradigm in drug discoveryVirtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial AgentsAccurate and efficient target prediction using a potency-sensitive influence-relevance voterSpherical harmonics coefficients for ligand-based virtual screening of cyclooxygenase inhibitorsBenchmarking methods and data sets for ligand enrichment assessment in virtual screening.Efficient hit-finding approaches for histone methyltransferases: the key parameters.Analysis of structure-based virtual screening studies and characterization of identified active compounds.Integrating virtual and biochemical screening for protein tyrosine phosphatase inhibitor discovery.Focused chemical libraries--design and enrichment: an example of protein-protein interaction chemical space.Scaffold hopping with virtual screening from IP3 to a drug-like partial agonist of the inositol trisphosphate receptor.State-of-the-art strategies for targeting protein-protein interactions by small-molecule inhibitors.Integrating sampling techniques and inverse virtual screening: toward the discovery of artificial peptide-based receptors for ligands.Spresso: An ultrafast compound pre-screening method based on compound decomposition.Survey of public domain software for docking simulations and virtual screening.Fingerprint design and engineering strategies: rationalizing and improving similarity search performance.Molecular simulations of drug-receptor complexes in anticancer research.Fusing similarity rankings in ligand-based virtual screening.In silico tools used for compound selection during target-based drug discovery and development.Quantitative structure-activity relationship: promising advances in drug discovery platforms.Drug repurposing for chronic myeloid leukemia: in silico and in vitro investigation of DrugBank database for allosteric Bcr-Abl inhibitors.Receptor-ligand molecular docking.Modern approaches to accelerate discovery of new antischistosomal drugs.Chalcone Derivatives: Promising Starting Points for Drug Design.Octopus: a platform for the virtual high-throughput screening of a pool of compounds against a set of molecular targets.Condorcet and borda count fusion method for ligand-based virtual screeningActivity Landscapes, Information Theory, and Structure - Activity Relationships.Haptic-driven applications to molecular modeling: state-of-the-art and perspectives.Virtual compound screening in drug discovery.Adapting Document Similarity Measures for Ligand-Based Virtual Screening.The use of 2D fingerprint methods to support the assessment of structural similarity in orphan drug legislation.SCISSORS: practical considerations.How far can virtual screening take us in drug discovery?Methods for Virtual Screening of GPCR Targets: Approaches and Challenges.Classifiers and their Metrics Quantified.A pose prediction approach based on ligand 3D shape similarity.Binding mode similarity measures for ranking of docking poses: a case study on the adenosine A2A receptor.
P2860
Q26740107-8B420892-BE6C-427B-9282-79D597821EC4Q26800097-B4A3CF7B-E92E-4318-9912-0B49BE912B88Q27000720-8AE97873-26EA-47E2-965A-0D0678A851A3Q27010681-172B7011-5AB4-4D49-BA76-485A486BF148Q27144242-EDC6CE80-88AC-4C33-A140-808822226DC2Q27657362-A1B66668-F01E-48C0-82CA-5DD36D714130Q27902298-17C6D06D-5CF9-45D2-8A2F-D4466F6E3268Q28479435-8605D829-9DF5-4378-B3B4-7A9C5F6A7A8CQ30875193-76F42C2E-8D0D-461E-8D25-7CF310135B60Q34046987-5C221D4A-12D9-4B4D-ACE0-A467B52EB432Q34212790-312CF42E-59CB-45C2-9B45-0FD86EE775F2Q34967191-53729153-F3C3-42E2-886E-D87BE83D49D2Q35158672-8DF04DC6-EE95-4196-9660-CB179FD54258Q35423302-2DF5028B-8761-4E8C-9172-14F628176F4AQ35738960-1034697F-7AFA-42FD-9959-A18033C830D6Q35836731-81C92933-3043-46AE-B0C7-A838442BA318Q36332172-99E69458-CD25-40E0-8594-62665E5FE511Q36477022-DD5C09E1-AE79-4B50-BA5F-A17B0D16F746Q38054132-DCB8504F-7A58-4D5F-AE41-0390CBED30E6Q38054133-0FAB6E5C-4A0F-4903-B432-D479513205F6Q38201038-D4884912-F6A8-43DD-81D9-7B0B9AF707F5Q38465124-EC34DF82-350A-4532-8CAD-6F16F0000235Q38584487-F7EA7A71-42B3-4749-B1ED-2123D30FFEAFQ38761171-B042CB53-2BF9-4CA7-BBA9-0133E9CC0C73Q38783140-1B1639FE-3C67-4775-8C41-DEF9D612F598Q38807251-BB8664F4-1F04-4F26-92B3-53510B9C9D9FQ39027317-8F3FDCB0-9C66-4A43-A89A-1920653E007DQ39033823-1A01D717-D61E-4ED1-85EC-5E75928268F8Q39198542-92430202-4B2F-4F3A-9AFA-64165F4CEF30Q39535358-63509370-AA8F-4FC4-971D-FA66BED1692BQ39585497-CDC9D7EE-DC67-4F28-B465-5F7B62663C44Q39635247-A5BEA950-030B-4559-8992-24B52C795513Q39842778-FA5AD486-875E-4B4C-928C-25B4C9DEF9EBQ41952646-A7D90F2B-703E-4675-881D-0D1FB8C1894DQ42958474-343167DF-9CB6-4B16-BD33-91DC11278531Q43630348-657C2E76-0749-458B-B1FA-8549092D3964Q45943415-FCB68EB2-7E95-4564-89AD-71B547A4EFF4Q48185450-5A6E4EC1-D26E-47BE-A6DF-85114EAC916DQ50616685-31C3C095-01A8-4EA7-95CA-166D01AA1FDDQ50622600-40CC6667-7078-4900-AE7A-A904A8A0BF29
P2860
description
2011 nî lūn-bûn
@nan
2011 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի փետրվարին 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
State-of-the-art in ligand-based virtual screening.
@ast
State-of-the-art in ligand-based virtual screening.
@en
type
label
State-of-the-art in ligand-based virtual screening.
@ast
State-of-the-art in ligand-based virtual screening.
@en
prefLabel
State-of-the-art in ligand-based virtual screening.
@ast
State-of-the-art in ligand-based virtual screening.
@en
P50
P1433
P1476
State-of-the-art in ligand-based virtual screening.
@en
P304
P356
10.1016/J.DRUDIS.2011.02.011
P577
2011-02-22T00:00:00Z