Pages that link to "Q34307063"
Jump to navigation
Jump to search
The following pages link to The many roles of computation in drug discovery (Q34307063):
Displaying 50 items.
- Structure-based activity prediction for an enzyme of unknown function (Q24642801) (← links)
- Identification of a chemical probe for NAADP by virtual screening (Q24654132) (← links)
- Drug Discovery, CAM and Natural Products (Q24808753) (← links)
- MEDock: a web server for efficient prediction of ligand binding sites based on a novel optimization algorithm (Q24813590) (← links)
- Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors (Q26777448) (← links)
- Focusing on shared subpockets - new developments in fragment-based drug discovery (Q26795719) (← links)
- Protein flexibility in docking and surface mapping (Q26864013) (← links)
- Computational methods in drug discovery (Q26997089) (← links)
- Exploring the role of receptor flexibility in structure-based drug discovery (Q27001129) (← links)
- SwissParam: A fast force field generation tool for small organic molecules (Q27136894) (← links)
- SwissDock, a protein-small molecule docking web service based on EADock DSS (Q27144176) (← links)
- Using Open Source Computational Tools for Predicting Human Metabolic Stability and Additional Absorption, Distribution, Metabolism, Excretion, and Toxicity Properties (Q27144456) (← links)
- Binding interaction of a gamma-aminobutyric acid derivative with serum albumin: an insight by fluorescence and molecular modeling analysis (Q27318662) (← links)
- The Free Energy Landscape of Small Molecule Unbinding (Q27333830) (← links)
- λ-Dynamics free energy simulation methods (Q27489387) (← links)
- Minimal Pharmacophoric Elements and Fragment Hopping, an Approach Directed at Molecular Diversity and Isozyme Selectivity. Design of Selective Neuronal Nitric Oxide Synthase Inhibitors (Q27649995) (← links)
- ZINC--a free database of commercially available compounds for virtual screening (Q27656255) (← links)
- The σ-hole phenomenon of halogen atoms forms the structural basis of the strong inhibitory potency of C5 halogen substituted glucopyranosyl nucleosides towards glycogen phosphorylase b (Q27676843) (← links)
- Structural Characterization and Computer-Aided Optimization of a Small-Molecule Inhibitor of the Arp2/3 Complex, a Key Regulator of the Actin Cytoskeleton (Q27679277) (← links)
- Affinity improvement of a therapeutic antibody to methamphetamine and amphetamine through structure-based antibody engineering (Q27681289) (← links)
- Molecular simulations of carbohydrates and protein-carbohydrate interactions: motivation, issues and prospects (Q27686945) (← links)
- Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method (Q27703161) (← links)
- AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina (Q27902339) (← links)
- Overcoming mutation-based resistance to antiandrogens with rational drug design (Q28044590) (← links)
- A consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring function (Q28282247) (← links)
- Adaptive cellular stress pathways as therapeutic targets of dietary phytochemicals: focus on the nervous system (Q28389419) (← links)
- A computational approach to finding novel targets for existing drugs (Q28476770) (← links)
- Systematic exploitation of multiple receptor conformations for virtual ligand screening (Q28478200) (← links)
- Small molecules with similar structures exhibit agonist, neutral antagonist or inverse agonist activity toward angiotensin II type 1 receptor (Q28480422) (← links)
- An integrated computational approach to rationalize the activity of non-zinc-binding MMP-2 inhibitors (Q28485109) (← links)
- iGPCR-drug: a web server for predicting interaction between GPCRs and drugs in cellular networking (Q28535719) (← links)
- rDock: a fast, versatile and open source program for docking ligands to proteins and nucleic acids (Q28537716) (← links)
- In silico docking of forchlorfenuron (FCF) to septins suggests that FCF interferes with GTP binding (Q28538405) (← links)
- Optimal ligand descriptor for pocket recognition based on the Beta-shape (Q28545751) (← links)
- AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility (Q28551247) (← links)
- A Multi-scale Computational Platform to Mechanistically Assess the Effect of Genetic Variation on Drug Responses in Human Erythrocyte Metabolism (Q28553224) (← links)
- Bioinformatics opportunities for identification and study of medicinal plants (Q28709643) (← links)
- Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms (Q28730803) (← links)
- Improved genome-scale multi-target virtual screening via a novel collaborative filtering approach to cold-start problem (Q28817549) (← links)
- Protein-Ligand Electrostatic Binding Free Energies from Explicit and Implicit Solvation (Q28817868) (← links)
- A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules (Q28822513) (← links)
- Comparison of Methods To Reweight from Classical Molecular Simulations to QM/MM Potentials (Q30277239) (← links)
- Proton binding to proteins: a free-energy component analysis using a dielectric continuum model. (Q30350529) (← links)
- Emerging Computational Methods for the Rational Discovery of Allosteric Drugs. (Q30358225) (← links)
- Applications for mass spectrometry in the study of ion channel structure and function. (Q30363845) (← links)
- Lead discovery and in silico 3D structure modeling of tumorigenic FAM72A (p17). (Q30366970) (← links)
- The Confine-and-Release Method: Obtaining Correct Binding Free Energies in the Presence of Protein Conformational Change (Q30372513) (← links)
- 3D Structure, Dimerization Modeling, and Lead Discovery by Ligand-protein Interaction Analysis of p60 Transcription Regulator Protein (p60TRP). (Q30391503) (← links)
- Computational methods in drug discovery. (Q30398071) (← links)
- Perspective: Alchemical free energy calculations for drug discovery (Q30422862) (← links)