IsoStar: a library of information about nonbonded interactions.
about
Alternative binding modes of an inhibitor to two different kinases8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase InhibitorsScaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK InhibitorsFragment-based screening maps inhibitor interactions in the ATP-binding site of checkpoint kinase 2Structure-Based Design of Orally Bioavailable 1 H -Pyrrolo[3,2- c ]pyridine Inhibitors of Mitotic Kinase Monopolar Spindle 1 (MPS1)Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand bindingDissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysinThe Cambridge Structural DatabaseData to knowledge: how to get meaning from your result.A new test set for validating predictions of protein-ligand interaction.A priori contact preferences in molecular recognition.Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysisThe structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to bindingThe Cambridge Structural Database in retrospect and prospect.Applications of the Cambridge Structural Database in chemical education.New software for statistical analysis of Cambridge Structural Database dataThe use of small-molecule structures to complement protein-ligand crystal structures in drug discoveryA medicinal chemist's guide to molecular interactionsThe Isoxazole Ring and Its N-Oxide: A Privileged Core Structure in Neuropsychiatric Therapeutics.On the molecular discrimination between adenine and guanine by proteins.A pharmacophore-based virtual screening approach for the discovery of Trypanosoma cruzi GAPDH inhibitors.Phe369(7.38) at human 5-HT(7) receptors confers interspecies selectivity to antagonists and partial agonists.WebCSD: the online portal to the Cambridge Structural Database.The integration of solid-form informatics into solid-form selection.The Role of the Tight-Turn, Broken Hydrogen Bonding, Glu222 and Arg96 in the Post-translational Green Fluorescent Protein Chromophore Formation.Development and validation of an improved algorithm for overlaying flexible molecules.Raltegravir flexibility and its impact on recognition by the HIV-1 IN targets.Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: a structural and computational investigation.Study of substrate specificity of human aromatase by site directed mutagenesis.Inhibition of carnitine acetyltransferase by mildronate, a regulator of energy metabolism.Hydrogen-bond landscapes, geometry and energetics of squaric acid and its mono- and dianions: a Cambridge Structural Database, IsoStar and computational study.Institutional profile: Crystal structure information in drug discovery and development: current perspectives and new possibilities from the Cambridge Crystallographic Data Centre.Interaction geometries and energies of hydrogen bonds to C[double bond]O and C[double bond]S acceptors: a comparative study.Worldwide Protein Data Bank validation information: usage and trends.Validation of ligands in macromolecular structures determined by X-ray crystallography.Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization.One in half a million: a solid form informatics study of a pharmaceutical crystal structureUtilizing organic and organometallic structural data in powder diffractionEvaluation of molecular crystal structures using Full Interaction Maps
P2860
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P2860
IsoStar: a library of information about nonbonded interactions.
description
1997 nî lūn-bûn
@nan
1997 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
1997 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
1997年の論文
@ja
1997年論文
@yue
1997年論文
@zh-hant
1997年論文
@zh-hk
1997年論文
@zh-mo
1997年論文
@zh-tw
1997年论文
@wuu
name
IsoStar: a library of information about nonbonded interactions.
@ast
IsoStar: a library of information about nonbonded interactions.
@en
type
label
IsoStar: a library of information about nonbonded interactions.
@ast
IsoStar: a library of information about nonbonded interactions.
@en
prefLabel
IsoStar: a library of information about nonbonded interactions.
@ast
IsoStar: a library of information about nonbonded interactions.
@en
P2093
P356
P1476
IsoStar: a library of information about nonbonded interactions.
@en
P2093
P2888
P304
P356
10.1023/A:1007934413448
P577
1997-11-01T00:00:00Z
P6179
1052869343