Pages that link to "Q36544700"
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The following pages link to Protein-ligand docking: current status and future challenges (Q36544700):
Displaying 50 items.
- Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies (Q26745421) (← links)
- Insights into Protein-Ligand Interactions: Mechanisms, Models, and Methods (Q26773062) (← links)
- Molecular docking and structure-based drug design strategies (Q26800097) (← links)
- Three-dimensional compound comparison methods and their application in drug discovery (Q26801796) (← links)
- Protein flexibility in docking and surface mapping (Q26864013) (← links)
- Computational methods in drug discovery (Q26997089) (← links)
- Specific binding of lacosamide to collapsin response mediator protein 2 (CRMP2) and direct impairment of its canonical function: implications for the therapeutic potential of lacosamide (Q27014744) (← links)
- Structure and function ofPseudomonas aeruginosaprotein PA1324 (21-170) (Q27653927) (← links)
- One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening (Q27655956) (← links)
- Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase (Q27690137) (← links)
- Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock (Q27702054) (← links)
- AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading (Q27860652) (← links)
- Substrate tunnels in enzymes: structure-function relationships and computational methodology (Q28081510) (← links)
- Structural insights into the inhibition of cytosolic 5'-nucleotidase II (cN-II) by ribonucleoside 5'-monophosphate analogues (Q28478308) (← links)
- Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machines (Q28542829) (← links)
- Novel Penicillin Analogues as Potential Antimicrobial Agents; Design, Synthesis and Docking Studies (Q28547170) (← links)
- Mastering the canonical loop of serine protease inhibitors: enhancing potency by optimising the internal hydrogen bond network (Q28740672) (← links)
- A Flow Cytometric and Computational Approaches to Carbapenems Affinity to the Different Types of Carbapenemases (Q28831094) (← links)
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility (Q29547658) (← links)
- Protein-protein interactions: analysis and prediction (Q30002405) (← links)
- Accidental interaction between PDZ domains and diclofenac revealed by NMR-assisted virtual screening. (Q30353037) (← links)
- In silico study on multidrug resistance conferred by I223R/H275Y double mutant neuraminidase. (Q30353814) (← links)
- Virtual screening: an in silico tool for interlacing the chemical universe with the proteome. (Q30366496) (← links)
- The application of FAST-NMR for the identification of novel drug discovery targets (Q30367778) (← links)
- PoLi: A Virtual Screening Pipeline Based on Template Pocket and Ligand Similarity. (Q30377334) (← links)
- Computational analysis of membrane proteins: the largest class of drug targets. (Q30380431) (← links)
- Q-Dock(LHM): Low-resolution refinement for ligand comparative modeling. (Q30381629) (← links)
- Computational Prediction of DrugTarget Interactions Using Chemical, Biological, and Network Features (Q30391368) (← links)
- Coarse-Grained Models for Protein-Cell Membrane Interactions (Q30398145) (← links)
- Generation of recombinant antibodies and means for increasing their affinity (Q30400906) (← links)
- The VSGB 2.0 model: a next generation energy model for high resolution protein structure modeling (Q30406909) (← links)
- Informatics resources for tuberculosis--towards drug discovery. (Q30407436) (← links)
- Tackling the challenges posed by target flexibility in drug design (Q30419540) (← links)
- Systems pharmacology uncovers Janus functions of botanical drugs: activation of host defense system and inhibition of influenza virus replication. (Q30423829) (← links)
- Docking challenge: protein sampling and molecular docking performance (Q30607323) (← links)
- Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches. (Q31033753) (← links)
- Using RosettaLigand for small molecule docking into comparative models (Q31109061) (← links)
- Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms (Q33295083) (← links)
- SHEF: a vHTS geometrical filter using coefficients of spherical harmonic molecular surfaces (Q33323177) (← links)
- What induces pocket openings on protein surface patches involved in protein-protein interactions? (Q33367595) (← links)
- Toward a molecular understanding of the interaction of dual specificity phosphatases with substrates: insights from structure-based modeling and high throughput screening (Q33376019) (← links)
- AutoGrow: a novel algorithm for protein inhibitor design (Q33407671) (← links)
- An interaction-motif-based scoring function for protein-ligand docking (Q33863934) (← links)
- Virtual Screening of Compound Libraries (Q33652555) (← links)
- Rapid flexible docking using a stochastic rotamer library of ligands (Q33659311) (← links)
- Solution structure and function of YndB, an AHSA1 protein from Bacillus subtilis (Q33684835) (← links)
- Docking Methods for Structure-Based Library Design (Q33730325) (← links)
- Quantum mechanical/molecular mechanical and docking study of the novel analogues based on hybridization of common pharmacophores as potential anti-breast cancer agents (Q33782320) (← links)
- Designing cyclic peptide inhibitor of dengue virus NS3-NS2B protease by using molecular docking approach (Q33833717) (← links)
- Protein design in metabolic engineering and synthetic biology (Q33880182) (← links)