about
Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe MoleculesBeyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteinsThe origins of femtomolar protein-ligand binding: hydrogen-bond cooperativity and desolvation energetics in the biotin-(strept)avidin binding siteAvidin related protein 2 shows unique structural and functional features among the avidin protein family.Blind prediction of HIV integrase binding from the SAMPL4 challengeHit identification and optimization in virtual screening: practical recommendations based on a critical literature analysisIn situ click chemistry: from small molecule discovery to synthetic antibodiesDiscovery of Leukotriene A4 Hydrolase Inhibitors Using Metabolomics Biased Fragment Crystallography †Exploring the Capacity of Minimalist Protein Interfaces: Interface Energetics and Affinity Maturation to Picomolar KD of a Single-domain Antibody with a Flat ParatopeStructure-Based Dissection of the Natural Product Cyclopentapeptide Chitinase Inhibitor ArgifinScreening-based discovery of drug-likeO-GlcNAcase inhibitor scaffoldsConformational Remodeling of Femtomolar Inhibitor−Acetylcholinesterase Complexes in the Crystalline StateStructure of trans -Resveratrol in Complex with the Cardiac Regulatory Protein Troponin CHow the biotin–streptavidin interaction was made even stronger: investigation via crystallography and a chimaeric tetramerAnopheles gambiae odorant binding protein crystal complex with the synthetic repellent DEET: implications for structure-based design of novel mosquito repellentsStructural contributions to multidrug recognition in the multidrug resistance (MDR) gene regulator, BmrRHuman carbonic anhydrase II as a host for piano-stool complexes bearing a sulfonamide anchorA detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinaseUnique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targetsDiscovery of Potent Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods and Structure-Based DesignDetecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment ScreeningGround state destabilization by anionic nucleophiles contributes to the activity of phosphoryl transfer enzymesCrystallographic Fragment Screening and Structure-Based Optimization Yields a New Class of Influenza Endonuclease InhibitorsMalachite Green Mediates Homodimerization of Antibody VL Domains to Form a Fluorescent Ternary Complex with Singular Symmetric InterfacesDiscovery of a Potent Inhibitor of Replication Protein A Protein–Protein Interactions Using a Fragment-Linking ApproachWater makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand bindingFull and Partial Agonism of a Designed Enzyme SwitchA New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core DomainAtom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hitsTheory of free energy and entropy in noncovalent bindingDiscovery of fragment molecules that bind the human peroxiredoxin 5 active siteBinding-site assessment by virtual fragment screeningComputational fragment-based binding site identification by ligand competitive saturationSelective inhibitors of protozoan protein N-myristoyltransferases as starting points for tropical disease medicinal chemistry programsWhat can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics?Creating novel activated factor XI inhibitors through fragment based lead generation and structure aided drug designExploration of Novel Inhibitors for Class I Histone Deacetylase Isoforms by QSAR Modeling and Molecular Dynamics Simulation AssaysEvolutionary history of a specialized p450 propane monooxygenaseGlobal mapping of pharmacological spaceBenchmarking sets for molecular docking
P2860
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P2860
description
1999 nî lūn-bûn
@nan
1999 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
1999 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
1999年の論文
@ja
1999年論文
@yue
1999年論文
@zh-hant
1999年論文
@zh-hk
1999年論文
@zh-mo
1999年論文
@zh-tw
1999年论文
@wuu
name
The maximal affinity of ligands
@ast
The maximal affinity of ligands
@en
The maximal affinity of ligands
@nl
type
label
The maximal affinity of ligands
@ast
The maximal affinity of ligands
@en
The maximal affinity of ligands
@nl
prefLabel
The maximal affinity of ligands
@ast
The maximal affinity of ligands
@en
The maximal affinity of ligands
@nl
P2093
P2860
P3181
P356
P1476
The maximal affinity of ligands
@en
P2093
P2860
P304
9997-10002
P3181
P356
10.1073/PNAS.96.18.9997
P407
P577
1999-08-31T00:00:00Z