Pages that link to "Q28286079"

The following pages link to From virtuality to reality - Virtual screening in lead discovery and lead optimization: a medicinal chemistry perspective (Q28286079):

Displaying 32 items.

• Virtual screening: an endless staircase? (Q28278411) (← links)
• A kernel for open source drug discovery in tropical diseases (Q28475314) (← links)
• A network-based multi-target computational estimation scheme for anticoagulant activities of compounds (Q28477458) (← links)
• Prediction of molecular targets of cancer preventing flavonoid compounds using computational methods (Q28484036) (← links)
• Experimentally validated novel inhibitors of Helicobacter pylori phosphopantetheine adenylyltransferase discovered by virtual high-throughput screening (Q28536879) (← links)
• Outcome of a workshop on applications of protein models in biomedical research (Q28751701) (← links)
• Improved genome-scale multi-target virtual screening via a novel collaborative filtering approach to cold-start problem (Q28817549) (← links)
• Structure and mechanism of the essential two-component signal-transduction system WalKR in Staphylococcus aureus (Q30387565) (← links)
• Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity (Q33492553) (← links)
• Novel mycosin protease MycP₁ inhibitors identified by virtual screening and 4D fingerprints (Q33567085) (← links)
• Virtual Screening with AutoDock: Theory and Practice (Q34867648) (← links)
• Emerging methods for ensemble-based virtual screening (Q34908421) (← links)
• A Discovery Funnel for Nucleic Acid Binding Drug Candidates (Q34955056) (← links)
• Discovery of novel chemoeffectors and rational design of Escherichia coli chemoreceptor specificity (Q35003129) (← links)
• New regulations for animal research - a chance to shine for in silico approaches (Q35085397) (← links)
• Molecular recognition in the case of flexible targets (Q35733861) (← links)
• Efflux-mediated antifungal drug resistance. (Q37156645) (← links)
• Fragment-based QSAR: perspectives in drug design (Q37382159) (← links)
• Virtual screening to identify lead inhibitors for bacterial NAD synthetase (NADs). (Q39998714) (← links)
• Virtual Screening of Phytochemicals to Novel Target (HAT) Rtt109 in Pneumocystis Jirovecii using Bioinformatics Tools (Q40571424) (← links)
• Protein-ligand interaction studies of retinol-binding protein 3 with herbal molecules using AutoDock for the management of Eales' disease (Q41883239) (← links)
• A Bayesian Target Predictor Method based on Molecular Pairing Energies estimation. (Q42318149) (← links)
• Virtual Screening for Finding Novel COX-2 Inhibitors as Antitumor Agents (Q42406265) (← links)
• Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology (Q42701435) (← links)
• Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution. (Q45940902) (← links)
• Discovery of small molecules binding to the normal conformation of prion by combining virtual screening and multiple biological activity evaluation methods. (Q47380200) (← links)
• Combining in vitro and in silico approaches to find new drugs targeting the pathological proteins related to the Alzheimer's disease (Q47396500) (← links)
• A novel, customizable and optimizable parameter method using spherical harmonics for molecular shape similarity comparisons. (Q51543578) (← links)
• Aqueous Extract of Black Maca Prevents Metabolism Disorder via Regulating the Glycolysis/Gluconeogenesis-TCA Cycle and PPARα Signaling Activation in Golden Hamsters Fed a High-Fat, High-Fructose Diet. (Q52571462) (← links)
• Exploring the Potential of Spherical Harmonics and PCVM for Compounds Activity Prediction. (Q64886116) (← links)
• Identification of a Selective PDE4B Inhibitor From Bryophyllum pinnatum by Target Fishing Study and In Vitro Evaluation of Quercetin 3-O-α-L-Arabinopyranosyl-(1→2)-O-α-L-Rhamnopyranoside (Q89619971) (← links)
• Identifying new topoisomerase II poison scaffolds by combining publicly available toxicity data and 2D/3D-based virtual screening (Q94177258) (← links)