about
A novel variant of the immunoglobulin fold in surface adhesins of Staphylococcus aureus: crystal structure of the fibrinogen-binding MSCRAMM, clumping factor A.Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniquesIdentification of xenoestrogens in food additives by an integrated in silico and in vitro approachFlexible ligand docking using conformational ensemblesPatchDock and SymmDock: servers for rigid and symmetric docking.Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitorsProtein flexibility in docking and surface mappingExploring the role of receptor flexibility in structure-based drug discoveryNew structural motifs on the chymotrypsin fold and their potential roles in complement factor BMonte Carlo replica-exchange based ensemble docking of protein conformations.Automatic identification and representation of protein binding sites for molecular docking.A novel approach for assessing macromolecular complexes combining soft-docking calculations with NMR data.Molecular docking screens using comparative models of proteinsProtein-protein docking using region-based 3D Zernike descriptors.Mining flexible-receptor docking experiments to select promising protein receptor snapshots.The importance of discerning shape in molecular pharmacology.Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions.ASPDock: protein-protein docking algorithm using atomic solvation parameters modelProtein docking prediction using predicted protein-protein interface.From laptop to benchtop to bedside: structure-based drug design on protein targets.MDockPP: A hierarchical approach for protein-protein docking and its application to CAPRI rounds 15-19Advances and challenges in protein-ligand dockingComputer-aided drug-discovery techniques that account for receptor flexibility.Advances in fragment-based drug discovery platforms.F2Dock: fast Fourier protein-protein docking.Molecular docking: a powerful approach for structure-based drug discoveryCloning, Expression, Mutagenesis Library Construction of Glycerol Dehydratase, and Binding Mode Simulation of Its Reactivase with Ligands.Reaching the global minimum in docking simulations: a Monte Carlo energy minimization approach using Bezier splines.Toward computational determination of peptide-receptor structure.Macromolecular docking of a three-body system: the recognition of human growth hormone by its receptorProtein flexibility in virtual screening: the BACE-1 case studyAccounting for receptor flexibility and enhanced sampling methods in computer-aided drug design.Dimethyl sulfoxide at 2.5% (v/v) alters the structural cooperativity and unfolding mechanism of dimeric bacterial NAD+ synthetase.Soft protein-protein docking in internal coordinatesPrinciples of flexible protein-protein dockingA knowledge-based scoring function for protein-RNA interactions derived from a statistical mechanics-based iterative methodA proposal for the revision of molecular boundary typology.The role of long-range intermolecular interactions in discovery of new drugs.Incorporating protein flexibility into docking and structure-based drug design.Electrostatics in protein-protein docking.
P2860
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P2860
description
1991 nî lūn-bûn
@nan
1991年の論文
@ja
1991年学术文章
@wuu
1991年学术文章
@zh-cn
1991年学术文章
@zh-hans
1991年学术文章
@zh-my
1991年学术文章
@zh-sg
1991年學術文章
@yue
1991年學術文章
@zh
1991年學術文章
@zh-hant
name
"Soft docking": matching of molecular surface cubes.
@en
"Soft docking": matching of molecular surface cubes.
@nl
type
label
"Soft docking": matching of molecular surface cubes.
@en
"Soft docking": matching of molecular surface cubes.
@nl
prefLabel
"Soft docking": matching of molecular surface cubes.
@en
"Soft docking": matching of molecular surface cubes.
@nl
P1476
"Soft docking": matching of molecular surface cubes.
@en
P304
P356
10.1016/0022-2836(91)90859-5
P407
P577
1991-05-01T00:00:00Z