Pages that link to "Q30985789"
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The following pages link to Detailed analysis of scoring functions for virtual screening (Q30985789):
Displaying 50 items.
- Identification of xenoestrogens in food additives by an integrated in silico and in vitro approach (Q24656051) (← links)
- Molecular basis of telaprevir resistance due to V36 and T54 mutations in the NS3-4A protease of the hepatitis C virus (Q27486122) (← links)
- Crystal Structure of a Putative Methyltransferase from Mycobacterium tuberculosis: Misannotation of a Genome Clarified by Protein Structural Analysis (Q27641583) (← links)
- Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing (Q27649874) (← links)
- Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase (Q27650049) (← links)
- Complementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain Inhibitors (Q27662173) (← links)
- Targeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular Modeling (Q27675982) (← links)
- Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method (Q27703161) (← links)
- Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performance (Q27902269) (← links)
- Large scale study of multiple-molecule queries (Q27998705) (← links)
- Virtual screening for the discovery of bioactive natural products (Q28261293) (← links)
- Comparing neural-network scoring functions and the state of the art: applications to common library screening (Q28292041) (← links)
- High-performance drug discovery: computational screening by combining docking and molecular dynamics simulations (Q28476233) (← links)
- Identification by virtual screening and in vitro testing of human DOPA decarboxylase inhibitors (Q28481220) (← links)
- An efficient computational method for calculating ligand binding affinities (Q28482424) (← links)
- Inhibitor ranking through QM based chelation calculations for virtual screening of HIV-1 RNase H inhibition (Q28539353) (← links)
- Computational Approaches for Decoding Select Odorant-Olfactory Receptor Interactions Using Mini-Virtual Screening (Q28546878) (← links)
- Design of glycopeptides used to investigate class II MHC binding and T-cell responses associated with autoimmune arthritis (Q28741917) (← links)
- Benchmarking sets for molecular docking (Q29619637) (← links)
- Virtual screening and fast automated docking methods. (Q30329412) (← links)
- Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening. (Q30333075) (← links)
- Decoys for docking (Q30350781) (← links)
- Virtual screening: an in silico tool for interlacing the chemical universe with the proteome. (Q30366496) (← links)
- Docking screens: right for the right reasons? (Q30380679) (← links)
- Computational methods in drug discovery. (Q30398071) (← links)
- Virtual ligand screening against comparative protein structure models (Q30410854) (← links)
- Identification of non-peptide malignant brain tumor (MBT) repeat antagonists by virtual screening of commercially available compounds (Q30497277) (← links)
- Filtering databases and chemical libraries (Q30883724) (← links)
- Virtual screening of virtual libraries (Q30939415) (← links)
- A web-based platform for virtual screening (Q30947014) (← links)
- Discovery of ligands by a combination of computational and NMR-based screening: RNA as an example target (Q30986400) (← links)
- Binding site characteristics in structure-based virtual screening: evaluation of current docking tools (Q31135121) (← links)
- Structure-based combinatorial library design: methodologies and applications (Q32135592) (← links)
- SARS-CoV protease inhibitors design using virtual screening method from natural products libraries (Q33211511) (← links)
- Virtual ligand screening against Escherichia coli dihydrofolate reductase: improving docking enrichment using physics-based methods (Q33223542) (← links)
- Virtual ligand screening: strategies, perspectives and limitations (Q33247681) (← links)
- Scoring functions and enrichment: a case study on Hsp90. (Q33270545) (← links)
- Ultrafast de novo docking combining pharmacophores and combinatorics (Q33271049) (← links)
- TrixX: structure-based molecule indexing for large-scale virtual screening in sublinear time (Q33273270) (← links)
- An effective docking strategy for virtual screening based on multi-objective optimization algorithm (Q33408373) (← links)
- Molecular docking screens using comparative models of proteins (Q33511631) (← links)
- Docking Methods for Structure-Based Library Design (Q33730325) (← links)
- Small molecule inhibitors of histone acetyltransferase Tip60 (Q33780470) (← links)
- Large-Scale Learning of Structure−Activity Relationships Using a Linear Support Vector Machine and Problem-Specific Metrics (Q33786063) (← links)
- Structure-based virtual screening of glycogen synthase kinase 3β inhibitors: analysis of scoring functions applied to large true actives and decoy sets. (Q33934472) (← links)
- Novel human mPGES-1 inhibitors identified through structure-based virtual screening (Q34020313) (← links)
- When is chemical similarity significant? The statistical distribution of chemical similarity scores and its extreme values (Q34038641) (← links)
- Application of a novel in silico high-throughput screen to identify selective inhibitors for protein-protein interactions (Q34093389) (← links)
- Advances and Challenges in Protein-Ligand Docking (Q34377911) (← links)
- Probing molecular docking in a charged model binding site (Q34516171) (← links)