about
Flexible ligand docking using conformational ensemblesPDBSite: a database of the 3D structure of protein functional sitesStructural and Functional Characterization of a Phosphatase Domain within Yeast General Transcription Factor IIICA machine learning-based method to improve docking scoring functions and its application to drug repurposingBenchmarking sets for molecular dockingDecoys for dockingAutomatic identification and representation of protein binding sites for molecular docking.Here be dragons: docking and screening in an uncharted region of chemical spaceSetting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms.Structure-based discovery of beta2-adrenergic receptor ligands.Structure-based discovery of A2A adenosine receptor ligands.A python-based docking program utilizing a receptor bound ligand shape: PythDock.Affinity maturation of antiHER2 monoclonal antibody MIL5 using an epitope-specific synthetic phage library by computational design.Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonistsPharmacophore-based similarity scoring for DOCKMolecular docking screening using agonist-bound GPCR structures: probing the A2A adenosine receptor.Searching sequence space: two different approaches to dihydrofolate reductase catalysis.Identification of Novel Smoothened Ligands Using Structure-Based Docking.Reaching the global minimum in docking simulations: a Monte Carlo energy minimization approach using Bezier splines.Development of antivirals against influenza.Rational screening of peroxisome proliferator-activated receptor-γ agonists from natural products: potential therapeutics for heart failure.Introduction to cheminformatics.Functional validation of virtual screening for novel agents with general anesthetic action at ligand-gated ion channelsUnraveling principles of lead discovery: from unfrustrated energy landscapes to novel molecular anchors.Protein-protein docking with multiple residue conformations and residue substitutions.Efficient docking of peptides to proteins without prior knowledge of the binding site.Review structure- and dynamics-based computational design of anticancer drugs.Vaccinia virus virulence factor N1L is a novel promising target for antiviral therapeutic intervention.The mode of agonist binding to a G protein-coupled receptor switches the effect that voltage changes have on signaling.Molecular docking towards drug discovery.Definition of the interaction domain for cytochrome c on cytochrome c oxidase. III. Prediction of the docked complex by a complete, systematic search.Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).A drug pocket at the lipid bilayer-potassium channel interface.Docking molecules by families to increase the diversity of hits in database screens: computational strategy and experimental evaluation.Mutations in the S4-H2 loop of eIF4E which increase the affinity for m7GTP.Pattern recognition and massively distributed computing.A molecular docking strategy identifies Eosin B as a non-active site inhibitor of protozoal bifunctional thymidylate synthase-dihydrofolate reductase.Structure-based inhibitor discovery against adenylyl cyclase toxins from pathogenic bacteria that cause anthrax and whooping cough.Role of Lys-32 residues in R67 dihydrofolate reductase probed by asymmetric mutations.Structure-Based Design and Discovery of New M2 Receptor Agonists.
P2860
Q24673137-C238E61C-AB82-4ECB-A3A7-33DDBDA3B291Q24796697-18361C70-6721-433E-B7FB-D6DBFB25B73FQ27677254-7340DE37-B62A-4A26-8B7A-7DD0207A6075Q28304560-EB0DE4E1-DA4A-46DA-B321-3FF702786285Q29619637-5B390DD6-9371-46F7-8106-7FFBF7C59616Q30350781-5458A80D-470E-4553-B5BC-2445F1CB9613Q30426700-6351A26B-D2FD-4175-BF7F-62E2034BF228Q33223544-940C73A4-5887-4765-8FCF-C27E90280795Q33295083-D2E7F95C-7220-48AA-B243-4CE1797E1C1BQ33426241-7AE6CDFE-EA4F-4DF9-9667-94016E0DD3DAQ33560239-324A7560-78F6-4306-B042-93E96C630784Q34041244-A341BFFF-D000-465B-A0D6-9094944D46EAQ34419541-7B83F71B-D279-4B32-8590-69EF95F591E8Q34490693-43CF0F44-1E95-400F-BD75-B7762F057806Q35013407-5842F4AA-5860-47E9-9137-897A18D19356Q35549895-CC3F8D8D-DEF4-4406-8ED3-85273B6BEF57Q36090362-8D5E04C0-3446-4EEE-AF91-3B7F86479079Q36094653-D9E39358-033D-4A62-96D9-9F01590878EFQ36165757-DCF28DC5-BC7C-4E09-87BE-C89303E73430Q36181153-A7CD07CF-2076-48A4-95FE-57F017D80968Q36219006-7BE0D399-6656-40F9-A7D1-2D979D891B87Q37144618-5427D13F-63FC-45B2-957F-5C90150CA32AQ37252068-EF9FD19F-A193-4E28-8CF4-980C2CA93A13Q37378836-A9B0B4A6-CE6F-433C-9BBD-C44A7BC969AFQ38269842-CE75FB07-15BA-4C55-BCB3-52B3D76259B8Q38270145-B305A91C-F984-433C-86BD-D0E47D922BE1Q38589320-9179E2AA-70DD-4BD7-B0E9-0B8C6D34960AQ39707773-D0506A0C-D395-4B88-9874-C945E29813F6Q40358357-1F7EC990-0859-4E4A-8DFA-E7BA8A71B252Q40947235-97D8EDE7-18E5-4F7E-8A84-28DA65DDB04BQ41710393-DFDA471B-0884-4247-AFB2-19B0A76D2E18Q42574841-567F6B15-0FFA-4826-990F-061773534741Q42631347-935B6BF6-374F-4989-A70F-C60289F69900Q43512278-796FD25A-1BC2-4EE4-A464-45AA04DEB3EEQ43962921-C520BBF2-D7CB-4380-BB58-FBB06F7938B5Q44190834-5ACC2A0D-8E13-4042-A87F-0B4C2BC685A8Q44295648-6C9432F3-D74F-4C0B-BE61-51C6A5C33037Q44391294-0E1FE4F2-3D78-4013-A61A-36EA58A8B02CQ45034283-A291233F-1831-4B22-9675-21221B6B8131Q46582575-A5076480-6463-4EDF-9F6A-F98435FFC3A4
P2860
description
1993 nî lūn-bûn
@nan
1993年の論文
@ja
1993年学术文章
@wuu
1993年学术文章
@zh
1993年学术文章
@zh-cn
1993年学术文章
@zh-hans
1993年学术文章
@zh-my
1993年学术文章
@zh-sg
1993年學術文章
@yue
1993年學術文章
@zh-hant
name
Matching chemistry and shape in molecular docking.
@en
Matching chemistry and shape in molecular docking.
@nl
type
label
Matching chemistry and shape in molecular docking.
@en
Matching chemistry and shape in molecular docking.
@nl
prefLabel
Matching chemistry and shape in molecular docking.
@en
Matching chemistry and shape in molecular docking.
@nl
P356
P1476
Matching chemistry and shape in molecular docking.
@en
P2093
B K Shoichet
P304
P356
10.1093/PROTEIN/6.7.723
P577
1993-09-01T00:00:00Z