Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket

Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket

Item
http://www.wikidata.org/entity/Q27640523
Molecular recognition at the active site of factor Xa: cation-π interactions, stacking on planar peptide surfaces, and replacement of structural waterFragment deconstruction of small, potent factor Xa inhibitors: exploring the superadditivity energetics of fragment linking in protein-ligand complexesLigand scaffold hopping combining 3D maximal substructure search and molecular similarity.Thermodynamics of Water in an Enzyme Active Site: Grid-Based Hydration Analysis of Coagulation Factor Xa.Contribution of explicit solvent effects to the binding affinity of small-molecule inhibitors in blood coagulation factor serine proteases.Protein pharmacophore selection using hydration-site analysis.Role of the active-site solvent in the thermodynamics of factor Xa ligand binding.Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approachPotent direct inhibitors of factor Xa based on the tetrahydroisoquinoline scaffold.Molecular dynamics simulations of Factor Xa: insight into conformational transition of its binding subsites.Novel factor Xa inhibitors: a patent review.Developments in factor Xa inhibitors for the treatment of thromboembolic disorders.The application of bioisosteres in drug design for novel drug discovery: focusing on acid protease inhibitors.Synthesis and evaluation of anthranilamide-based derivatives as FXa inhibitorsCl-pi interactions in protein-ligand complexes.Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST.Novel Anthranilamide-Based FXa Inhibitors: Drug Design, Synthesis and Biological Evaluation.
P2860

Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket

Item
http://www.wikidata.org/entity/Q27640523
description
2003 nî lūn-bûn
@nan
2003 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2003年の論文
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2003年論文
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2003年論文
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2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
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name
Molecular structures of human ...... neutral group in the S1 pocket
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Molecular structures of human ...... neutral group in the S1 pocket
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Molecular structures of human ...... neutral group in the S1 pocket
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type
label
Molecular structures of human ...... neutral group in the S1 pocket
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Molecular structures of human ...... neutral group in the S1 pocket
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Molecular structures of human ...... neutral group in the S1 pocket
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Molecular structures of human ...... neutral group in the S1 pocket
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Molecular structures of human ...... neutral group in the S1 pocket
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Molecular structures of human ...... neutral group in the S1 pocket
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P1433
P1476
P2093
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P1476
Molecular structures of human ...... neutral group in the S1 pocket
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P2093
P304
P31
P356
P407
P433
P478
P577
P698