Ligand pose and orientational sampling in molecular docking
about
Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discoveryLigand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual ScreeningZINC 15--Ligand Discovery for EveryoneUltrafast protein structure-based virtual screening with Panther.Benchmarking methods and data sets for ligand enrichment assessment in virtual screening.The SAMPL4 host-guest blind prediction challenge: an overview.Determinants of substrate and cation transport in the human Na+/dicarboxylate cotransporter NaDC3.Actin is required for IFT regulation in Chlamydomonas reinhardtiiSEABED: Small molEcule activity scanner weB servicE baseD.DARC 2.0: Improved Docking and Virtual Screening at Protein Interaction SitesDOCK 6: Impact of new features and current docking performance.The Augmenting Effects of Desolvation and Conformational Energy Terms on the Predictions of Docking Programs against mPGES-1.Integrated discovery of FOXO1-DNA stabilizers from marine natural products to restore chemosensitivity to anti-EGFR-based therapy for metastatic lung cancer.Matrix Metalloproteinase 10 Degradomics in Keratinocytes and Epidermal Tissue Identifies Bioactive Substrates With Pleiotropic FunctionsSAMPL4 & DOCK3.7: lessons for automated docking procedures.Improvements, trends, and new ideas in molecular docking: 2012-2013 in review.Testing inhomogeneous solvation theory in structure-based ligand discovery.Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets.Crystal Structure of an LSD-Bound Human Serotonin Receptor.D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.Structure-based discovery of selective positive allosteric modulators of antagonists for the M2 muscarinic acetylcholine receptor.Elucidating Mechanisms of Molecular Recognition Between Human Argonaute and miRNA Using Computational Approaches.Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone.Computational quantum chemistry, molecular docking, and ADMET predictions of imidazole alkaloids of Pilocarpus microphyllus with schistosomicidal properties.Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo.Molecular Mechanisms for Species Differences in Organic Anion Transporter 1, OAT1: Implications for Renal Drug Toxicity
P2860
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P2860
Ligand pose and orientational sampling in molecular docking
description
2013 nî lūn-bûn
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2013 թուականին հրատարակուած գիտական յօդուած
@hyw
2013 թվականին հրատարակված գիտական հոդված
@hy
2013年の論文
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2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
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name
Ligand pose and orientational sampling in molecular docking
@ast
Ligand pose and orientational sampling in molecular docking
@en
Ligand pose and orientational sampling in molecular docking
@nl
type
label
Ligand pose and orientational sampling in molecular docking
@ast
Ligand pose and orientational sampling in molecular docking
@en
Ligand pose and orientational sampling in molecular docking
@nl
prefLabel
Ligand pose and orientational sampling in molecular docking
@ast
Ligand pose and orientational sampling in molecular docking
@en
Ligand pose and orientational sampling in molecular docking
@nl
P2093
P2860
P1433
P1476
Ligand pose and orientational sampling in molecular docking
@en
P2093
Michael Carchia
Ryan G Coleman
Teague Sterling
P2860
P304
P356
10.1371/JOURNAL.PONE.0075992
P407
P577
2013-01-01T00:00:00Z