Statistical potentials and scoring functions applied to protein-ligand binding.
about
Interatomic potentials and solvation parameters from protein engineering data for buried residuesRescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental TestingNovel Ligands for a Purine Riboswitch Discovered by RNA-Ligand DockingOPUS-PSP: an orientation-dependent statistical all-atom potential derived from side-chain packing.Docking screens: right for the right reasons?Quantitative prediction of protein-protein binding affinity with a potential of mean force considering volume correction.Binding site characteristics in structure-based virtual screening: evaluation of current docking tools.A new method to estimate ligand-receptor energetics.Development and application of hybrid structure based method for efficient screening of ligands binding to G-protein coupled receptors.Virtual target screening: validation using kinase inhibitors.Advances and challenges in protein-ligand dockingOPUS-Ca: a knowledge-based potential function requiring only Calpha positions.MedusaScore: an accurate force field-based scoring function for virtual drug screening.Computational methods of studying the binding of toxins from venomous animals to biological ion channels: theory and applications.Target flexibility: an emerging consideration in drug discovery and design.Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfaces.GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.A computational study of the protein-ligand interactions in CDK2 inhibitors: using quantum mechanics/molecular mechanics interaction energy as a predictor of the biological activity.Contributions to the binding free energy of ligands to avidin and streptavidin.Synthesis, Spectral Properties and DFT Calculations of new Ruthenium (II) Polypyridyl Complexes; DNA Binding Affinity and in Vitro Cytotoxicity Activity.Theoretical study of molecular determinants involved in signal binding to the TraR protein of Agrobacterium tumefaciens.OPUS-CSF: A C-atom-based scoring function for ranking protein structural models.Synthesis and Evaluation of In Vitro DNA/Protein Binding Affinity, Antimicrobial, Antioxidant and Antitumor Activity of Mononuclear Ru(II) Mixed Polypyridyl Complexes.From Hansch-Fujita Analysis to AFMoC: A Road to Structure-Based QSAR.Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking.The Semiempirical Quantum Mechanical Scoring Function for In Silico Drug Design
P2860
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P2860
Statistical potentials and scoring functions applied to protein-ligand binding.
description
2001 nî lūn-bûn
@nan
2001 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年学术文章
@wuu
2001年学术文章
@zh-cn
2001年学术文章
@zh-hans
2001年学术文章
@zh-my
2001年学术文章
@zh-sg
2001年學術文章
@yue
name
Statistical potentials and scoring functions applied to protein-ligand binding.
@ast
Statistical potentials and scoring functions applied to protein-ligand binding.
@en
Statistical potentials and scoring functions applied to protein-ligand binding.
@nl
type
label
Statistical potentials and scoring functions applied to protein-ligand binding.
@ast
Statistical potentials and scoring functions applied to protein-ligand binding.
@en
Statistical potentials and scoring functions applied to protein-ligand binding.
@nl
prefLabel
Statistical potentials and scoring functions applied to protein-ligand binding.
@ast
Statistical potentials and scoring functions applied to protein-ligand binding.
@en
Statistical potentials and scoring functions applied to protein-ligand binding.
@nl
P1476
Statistical potentials and scoring functions applied to protein-ligand binding.
@en
P2093
P304
P356
10.1016/S0959-440X(00)00195-0
P577
2001-04-01T00:00:00Z