MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.
about
Three-dimensional modeling of glucose-6-phosphate dehydrogenase-deficient variants from German ancestryC-terminal elements control location, activation threshold, and p38 docking of ribosomal S6 kinase B (RSKB)Human OLA1 defines an ATPase subfamily in the Obg family of GTP-binding proteinsInhibition of bacterial RNA polymerase by streptolydigin: stabilization of a straight-bridge-helix active-center conformationArchitecture and selectivity in aquaporins: 2.5 a X-ray structure of aquaporin ZCrystal structure of the third KH domain of human poly(C)-binding protein-2 in complex with a C-rich strand of human telomeric DNA at 1.6 A resolutionX-ray crystallographic and NMR studies of protein-protein and protein-nucleic acid interactions involving the KH domains from human poly(C)-binding protein-2Glutathione traps formaldehyde by formation of a bicyclo[4.4.1]undecane adductStructure-based optimization of cephalothin-analogue boronic acids as β-lactamase inhibitorsStructural basis of transcription inhibition by alpha-amanitin and implications for RNA polymerase II translocationHuman Carbonyl Reductase 1 Is an S-Nitrosoglutathione ReductaseStructural and Biophysical Characterization of BoxC from Burkholderia xenovorans LB400: A NOVEL RING-CLEAVING ENZYME IN THE CROTONASE SUPERFAMILYOne Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual ScreeningHow to replace the residual solvation shell of polar active site residues to achieve nanomolar inhibition of tRNA-guanine transglycosylaseNovel Ligands for a Purine Riboswitch Discovered by RNA-Ligand DockingMolecular recognition at the active site of catechol-O-methyltransferase (COMT): adenine replacements in bisubstrate inhibitorsMolecular recognition at the active site of factor Xa: cation-π interactions, stacking on planar peptide surfaces, and replacement of structural waterDe Novo Design of Protein Kinase Inhibitors by in Silico Identification of Hinge Region-Binding FragmentsCatechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitorsOptimization of triazine nitriles as rhodesain inhibitors: structure-activity relationships, bioisosteric imidazopyridine nitriles, and X-ray crystal structure analysis with human cathepsin LStructure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistryBinding to large enzyme pockets: small-molecule inhibitors of trypanothione reductaseAtomic resolution structure of a lysine-specific endoproteinase from Lysobacter enzymogenes suggests a hydroxyl group bound to the oxyanion holeStructure-based design of potent small-molecule binders to the S-component of the ECF transporter for thiamineAddressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB MimicFragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial ChemistryCloning and functional expression of a soluble form of kynurenine/alpha-aminoadipate aminotransferase from rat kidneyMutagenesis and functional studies with succinate dehydrogenase inhibitors in the wheat pathogen Mycosphaerella graminicolaPredictions of Ligand Selectivity from Absolute Binding Free Energy CalculationsIdentification of CLK1 Inhibitors by a Fragment-linking Based Virtual Screening.Here be dragons: docking and screening in an uncharted region of chemical spaceSmall molecule antagonizes autoinhibition and activates AMP-activated protein kinase in cells.TransCent: computational enzyme design by transferring active sites and considering constraints relevant for catalysis.Natural Products as New Treatment Options for Trichomoniasis: A Molecular Docking Investigation.Nucleophilic catalysis of acylhydrazone equilibration for protein-directed dynamic covalent chemistryHuman napsin A: expression, immunochemical detection, and tissue localization.A fast and precise approach for computational saturation mutagenesis and its experimental validation by using an artificial (βα)8-barrel protein.Structural basis for conductance by the archaeal aquaporin AqpM at 1.68 A.The mechanism of ammonia transport based on the crystal structure of AmtB of Escherichia coli.From on-target to off-target activity: identification and optimisation of Trypanosoma brucei GSK3 inhibitors and their characterisation as anti-Trypanosoma brucei drug discovery lead molecules.
P2860
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P2860
MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.
description
1995 nî lūn-bûn
@nan
1995年の論文
@ja
1995年学术文章
@wuu
1995年学术文章
@zh
1995年学术文章
@zh-cn
1995年学术文章
@zh-hans
1995年学术文章
@zh-my
1995年学术文章
@zh-sg
1995年學術文章
@yue
1995年學術文章
@zh-hant
name
MAB, a generally applicable mo ...... elling in medicinal chemistry.
@en
MAB, a generally applicable mo ...... elling in medicinal chemistry.
@nl
type
label
MAB, a generally applicable mo ...... elling in medicinal chemistry.
@en
MAB, a generally applicable mo ...... elling in medicinal chemistry.
@nl
prefLabel
MAB, a generally applicable mo ...... elling in medicinal chemistry.
@en
MAB, a generally applicable mo ...... elling in medicinal chemistry.
@nl
P356
P1476
MAB, a generally applicable mo ...... elling in medicinal chemistry.
@en
P2093
P2888
P304
P356
10.1007/BF00124456
P577
1995-06-01T00:00:00Z