Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
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How to replace the residual solvation shell of polar active site residues to achieve nanomolar inhibition of tRNA-guanine transglycosylaseTRAF4 Is a Novel Phosphoinositide-Binding Protein Modulating Tight Junctions and Favoring Cell MigrationSynthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidasesMultivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecASANCDB: a South African natural compound databaseeTOXlab, an open source modeling framework for implementing predictive models in production environmentsA consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring functionOnline chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical informationCombining machine learning systems and multiple docking simulation packages to improve docking prediction reliability for network pharmacologyHow Far Could We Go with Open Data - A Case Study for TRPV1 AntagonistsModeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM)MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules.Comparison of ultra-fast 2D and 3D ligand and target descriptors for side effect prediction and network analysis in polypharmacology.A method to identify and screen libraries of guests that complex to a synthetic host.The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank.Generate: a program for 3-D structure generation and conformational analysis of peptides and peptidomimetics.Second-generation de novo design: a view from a medicinal chemist perspective.Computational structure-activity study directs synthesis of novel antitumor enkephalin analogs.A (-)-kolavenyl diphosphate synthase catalyzes the first step of salvinorin A biosynthesis in Salvia divinorum.Predicting antitumor activity of peptides by consensus of regression models trained on a small data sample.Dunn's index for cluster tendency assessment of pharmacological data sets.In Silico Prediction of Human Sulfotransferase 1E1 Activity Guided by Pharmacophores from Molecular Dynamics Simulations.CONFECT: conformations from an expert collection of torsion patterns.Stepwise high-throughput virtual screening of Rho kinase inhibitors from natural product library and potential therapeutics for pulmonary hypertension.Current Challenges in Development of a Database of Three-Dimensional Chemical Structures.NMR structure calculation for all small molecule ligands and non-standard residues from the PDB Chemical Component Dictionary.On the origins of three-dimensionality in drug-like molecules.Identification of novel Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screening.Integrated discovery of FOXO1-DNA stabilizers from marine natural products to restore chemosensitivity to anti-EGFR-based therapy for metastatic lung cancer.Combination of multiple neural crest migration assays to identify environmental toxicants from a proof-of-concept chemical library.Cholesteryl esters stabilize human CD1c conformations for recognition by self-reactive T cells.NLDB: a database for 3D protein-ligand interactions in enzymatic reactions.Molecular determinant of the effects of hydrostatic pressure on protein folding stabilitySAMPL4 & DOCK3.7: lessons for automated docking procedures.Informatics, machine learning and computational medicinal chemistry.The ability of molecular docking to unravel the controversy and challenges related to P-glycoprotein--a well-known, yet poorly understood drug transporter.A pharmacophore-based evolutionary approach for screening selective estrogen receptor modulators.A Computational Approach to Identify a Potential Alternative Drug With Its Positive Impact Toward PMP22.A review of quantitative structure-property relationships for the fate of ionizable organic chemicals in water matrices and identification of knowledge gaps.Keep it together: restraints in crystallographic refinement of macromolecule-ligand complexes.
P2860
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P2860
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
description
1994 nî lūn-bûn
@nan
1994 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
1994 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
1994年の論文
@ja
1994年論文
@yue
1994年論文
@zh-hant
1994年論文
@zh-hk
1994年論文
@zh-mo
1994年論文
@zh-tw
1994年论文
@wuu
name
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
@ast
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
@en
type
label
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
@ast
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
@en
prefLabel
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
@ast
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
@en
P3181
P356
P1476
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures
@en
P2093
Jens Sadowski
P304
P3181
P356
10.1021/CI00020A039
P577
1994-07-01T00:00:00Z