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Use of a bacteriophage lysin to identify a novel target for antimicrobial developmentStreptomeDB: a resource for natural compounds isolated from Streptomyces speciesRecent Progress in Treating Protein-Ligand Interactions with Quantum-Mechanical MethodsMachine-learning scoring functions to improve structure-based binding affinity prediction and virtual screeningHit identification and optimization in virtual screening: practical recommendations based on a critical literature analysisExploring the role of receptor flexibility in structure-based drug discoverySwissParam: A fast force field generation tool for small organic moleculesDiscovery of Novel Fibroblast Growth Factor Receptor 1 Kinase Inhibitors by Structure-Based Virtual ScreeningTargeting the von Hippel–Lindau E3 Ubiquitin Ligase Using Small Molecules To Disrupt the VHL/HIF-1α InteractionBlind Prediction of Charged Ligand Binding Affinities in a Model Binding SiteStructural Characterization and Computer-Aided Optimization of a Small-Molecule Inhibitor of the Arp2/3 Complex, a Key Regulator of the Actin CytoskeletonExtension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubilityPicomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl GroupAutomated docking screens: a feasibility studyBeyond small-molecule SAR: using the dopamine D3 receptor crystal structure to guide drug designKinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug designIdentification and Characterization of Noncovalent Interactions That Drive Binding and Specificity in DD-Peptidases and β-LactamasesAssessment of Anti-Influenza Activity and Hemagglutination Inhibition of Plumbago indica and Allium sativum ExtractsBeyond Membrane Protein Structure: Drug Discovery, Dynamics and Difficulties.Free Energy Perturbation Calculation of Relative Binding Free Energy between Broadly Neutralizing Antibodies and the gp120 Glycoprotein of HIV-1.Computational methods in drug discovery.Experimental conformational energy maps of proteins and peptides.Alchemical free energy methods for drug discovery: progress and challengesOptimal pairwise and non-pairwise alchemical pathways for free energy calculations of molecular transformation in solution phase.Prediction of the water content in protein binding sitesFlexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches.Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data Sets.Receptor-Based Discovery of a Plasmalemmal Monoamine Transporter Inhibitor via High Throughput Docking and Pharmacophore Modeling.Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives.Physics-based scoring of protein-ligand interactions: explicit polarizability, quantum mechanics and free energies.Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF)E/Z Energetics for Molecular Modeling and DesignFrom laptop to benchtop to bedside: structure-based drug design on protein targets.Identification of novel antimalarial chemotypes via chemoinformatic compound selection methods for a high-throughput screening program against the novel malarial target, PfNDH2: increasing hit rate via virtual screening methods.Receptor agonists of macrophage migration inhibitory factor.Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl EthersEffects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase Inhibitors.Emerging topics in structure-based virtual screening.Transition states and origins of 1,4-asymmetric induction in alkylations of 2,2,6-trialkylpiperidine enamines.
P2860
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P2860
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
gotara zanistî
@ku-latn
scientific article published on June 2009
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
name
Efficient drug lead discovery and optimization.
@en
Efficient drug lead discovery and optimization.
@nl
type
label
Efficient drug lead discovery and optimization.
@en
Efficient drug lead discovery and optimization.
@nl
prefLabel
Efficient drug lead discovery and optimization.
@en
Efficient drug lead discovery and optimization.
@nl
P2860
P356
P1476
Efficient drug lead discovery and optimization.
@en
P2860
P304
P356
10.1021/AR800236T
P407
P577
2009-06-01T00:00:00Z