Functional group contributions to drug-receptor interactions.
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The maximal affinity of ligandsThermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitorsStructure of trans -Resveratrol in Complex with the Cardiac Regulatory Protein Troponin CWater makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand bindingA multimodal RAGE-specific inhibitor reduces amyloid β-mediated brain disorder in a mouse model of Alzheimer diseaseExploration of Novel Inhibitors for Class I Histone Deacetylase Isoforms by QSAR Modeling and Molecular Dynamics Simulation AssaysGlobal mapping of pharmacological spaceTripartite ATP-independent Periplasmic (TRAP) Transporters Use an Arginine-mediated Selectivity Filter for High Affinity Substrate Binding.Interrelationships among carcinogenicity, mutagenicity, acute toxicity, and chemical structure in a genotoxicity data base.Towards the rational design of molecularly imprinted polymers.Structural model of the pre-pore ring-like structure of Panton-Valentine leukocidin: providing dimensionality to biophysical and mutational data.Application of neural networks in structure-activity relationships.Fragment-based discovery of novel thymidylate synthase leads by NMR screening and group epitope mapping.Inhibitory effects of caffeine analogues on neoplastic transformation: structure-activity relationship.Selecting RNA aptamers for synthetic biology: investigating magnesium dependence and predicting binding affinityFragment screening of infectious disease targets in a structural genomics environmentStructure-activity relationships of omega-conotoxins at N-type voltage-sensitive calcium channels.The statistical-thermodynamic basis for computation of binding affinities: a critical reviewFree energy decomposition of protein-protein interactions.Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor.Solid-phase peptide head-to-side chain cyclodimerization: discovery of C(2)-symmetric cyclic lactam hybrid α-melanocyte-stimulating hormone (MSH)/agouti-signaling protein (ASIP) analogues with potent activities at the human melanocortin receptorsLigand-induced protein mobility in complexes of carbonic anhydrase II and benzenesulfonamides with oligoglycine chainsProfound methyl effects in drug discovery and a call for new C-H methylation reactions.Methyl effects on protein-ligand bindingTuning the Reactivity of Radical through a Triplet Diradical Cu(II) Intermediate in Radical Oxidative Cross-CouplingThe paradoxical thermodynamic basis for the interaction of ethylene glycol, glycine, and sarcosine chains with bovine carbonic anhydrase II: an unexpected manifestation of enthalpy/entropy compensation.QSAR studies of copper azamacrocycles and thiosemicarbazones: MM3 parameter development and prediction of biological properties.Interactions between cyclic nucleotide phosphodiesterase 11 catalytic site and substrates or tadalafil and role of a critical Gln-869 hydrogen bond.Novel 9-(alkylthio)-Acenaphtho[1,2-e]-1,2,4-triazine derivatives: synthesis, cytotoxic activity and molecular docking studies on B-cell lymphoma 2 (Bcl-2).Probing the links between in vitro potency, ADMET and physicochemical parameters.Computational medicinal chemistry in fragment-based drug discovery: what, how and when.The significance of acid/base properties in drug discoveryChemical predictive modelling to improve compound quality.Predicting natural product value, an exploration of anti-TB drug space.Phosphodiesterase-5 Gln817 is critical for cGMP, vardenafil, or sildenafil affinity: its orientation impacts cGMP but not cAMP affinity.Conformational energy range of ligands in protein crystal structures: The difficult quest for accurate understanding.Structure-activity relationships, ligand efficiency, and lipophilic efficiency profiles of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein.Thermodynamics of ligand binding and efficiency.Development of a Novel Quantitative Structure-Activity Relationship Model to Accurately Predict Pulmonary Absorption and Replace Routine Use of the Isolated Perfused Respiring Rat Lung Model.Hydropathic analysis of the free energy differences in anthracycline antibiotic binding to DNA
P2860
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P2860
Functional group contributions to drug-receptor interactions.
description
1984 nî lūn-bûn
@nan
1984 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
1984 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
1984年の論文
@ja
1984年論文
@yue
1984年論文
@zh-hant
1984年論文
@zh-hk
1984年論文
@zh-mo
1984年論文
@zh-tw
1984年论文
@wuu
name
Functional group contributions to drug-receptor interactions.
@ast
Functional group contributions to drug-receptor interactions.
@en
Functional group contributions to drug-receptor interactions.
@nl
type
label
Functional group contributions to drug-receptor interactions.
@ast
Functional group contributions to drug-receptor interactions.
@en
Functional group contributions to drug-receptor interactions.
@nl
prefLabel
Functional group contributions to drug-receptor interactions.
@ast
Functional group contributions to drug-receptor interactions.
@en
Functional group contributions to drug-receptor interactions.
@nl
P921
P356
P1476
Functional group contributions to drug-receptor interactions
@en
P2093
P R Andrews
P304
P356
10.1021/JM00378A021
P407
P577
1984-12-01T00:00:00Z