Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming.
about
Molecular docking and structure-based drug design strategiesStructure-based virtual screening for drug discovery: a problem-centric reviewNovel allosteric sites on Ras for lead generationCrystal structure of the E2 transactivation domain of human papillomavirus type 11 bound to a protein interaction inhibitorStructure-Activity Relationships and X-ray Structures Describing the Selectivity of Aminopyrazole Inhibitors for c-Jun N-terminal Kinase 3 (JNK3) over p38Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discoverySmall molecule Plasmodium FKBP35 inhibitor as a potential antimalaria agentA machine learning approach to predicting protein-ligand binding affinity with applications to molecular dockingComputational identification of uncharacterized cruzain binding sitesApplication of consensus scoring and principal component analysis for virtual screening against β-secretase (BACE-1)Experimentally validated novel inhibitors of Helicobacter pylori phosphopantetheine adenylyltransferase discovered by virtual high-throughput screeningBuilding a virtual ligand screening pipeline using free software: a surveyAutomatic identification and representation of protein binding sites for molecular docking.Developing hypothetical inhibition mechanism of novel urea transporter B inhibitor.High throughput docking for library design and library prioritization.Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data Sets.Binding site characteristics in structure-based virtual screening: evaluation of current docking tools.Virtual Screening and Molecular Dynamics Simulations from a Bank of Molecules of the Amazon Region Against Functional NS3-4A Protease-Helicase Enzyme of Hepatitis C Virus.Virtual screening and drug design for PDE-5 receptor from traditional Chinese medicine database.A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction.PharmDock: a pharmacophore-based docking program.A mean field model of ligand-protein interactions: implications for the structural assessment of human immunodeficiency virus type 1 protease complexes and receptor-specific bindingIn Silico Investigation of Potential PARP-1 Inhibitors from Traditional Chinese Medicine.Anti-tubercular drug designing by structure based screening of combinatorial libraries.Binding affinity prediction with property-encoded shape distribution signaturesTSCC: Two-Stage Combinatorial Clustering for virtual screening using protein-ligand interactions and physicochemical features.Ligand supported homology modeling and docking evaluation of CCR2: docked pose selection by consensus scoring.Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions.CYP3A4-Mediated carbamazepine (CBZ) metabolism: formation of a covalent CBZ-CYP3A4 adduct and alteration of the enzyme kinetic profile.Novel human mPGES-1 inhibitors identified through structure-based virtual screening.Recognition between flexible protein molecules: induced and assisted folding.Integrative analysis workflow for the structural and functional classification of C-type lectins.Nelfinavir mesylate.NNScore: a neural-network-based scoring function for the characterization of protein-ligand complexes.Novel cruzain inhibitors for the treatment of Chagas' disease.PL-PatchSurfer: a novel molecular local surface-based method for exploring protein-ligand interactions.Advances and challenges in protein-ligand dockingReFlexIn: a flexible receptor protein-ligand docking scheme evaluated on HIV-1 proteaseComputational design of a CNT carrier for a high affinity bispecific anti-HER2 antibody based on trastuzumab and pertuzumab Fabs.In silico screening, structure-activity relationship, and biologic evaluation of selective pteridine reductase inhibitors targeting visceral leishmaniasis.
P2860
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P2860
Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming.
description
1995 nî lūn-bûn
@nan
1995 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
1995 թվականի մայիսին հրատարակված գիտական հոդված
@hy
1995年の論文
@ja
1995年論文
@yue
1995年論文
@zh-hant
1995年論文
@zh-hk
1995年論文
@zh-mo
1995年論文
@zh-tw
1995年论文
@wuu
name
Molecular recognition of the i ...... g by evolutionary programming.
@ast
Molecular recognition of the i ...... g by evolutionary programming.
@en
Molecular recognition of the i ...... g by evolutionary programming.
@nl
type
label
Molecular recognition of the i ...... g by evolutionary programming.
@ast
Molecular recognition of the i ...... g by evolutionary programming.
@en
Molecular recognition of the i ...... g by evolutionary programming.
@nl
prefLabel
Molecular recognition of the i ...... g by evolutionary programming.
@ast
Molecular recognition of the i ...... g by evolutionary programming.
@en
Molecular recognition of the i ...... g by evolutionary programming.
@nl
P2093
P1476
Molecular recognition of the i ...... g by evolutionary programming.
@en
P2093
Gehlhaar DK
Sherman CJ
Verkhivker GM
P304
P356
10.1016/1074-5521(95)90050-0
P577
1995-05-01T00:00:00Z