Articles
Page 35 of 38
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Citation: Chemistry Central Journal 2009 3(Suppl 1):P76
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Pseudoreceptor-based pocket selection in a molecular dynamics simulation of the histamine H4 receptor
Citation: Chemistry Central Journal 2009 3(Suppl 1):P74 -
CELLmicrocosmos 2.1: a software approach for the modelling of three-dimensional PDB membranes
Citation: Chemistry Central Journal 2009 3(Suppl 1):P72 -
An online-system for the evaluation of hazardous substances
Citation: Chemistry Central Journal 2009 3(Suppl 1):P70 -
Virtual chemical reactions for drug design
Citation: Chemistry Central Journal 2009 3(Suppl 1):P68 -
PocketGraph: graph representation of binding site volumes
Citation: Chemistry Central Journal 2009 3(Suppl 1):P66 -
Validation of predicitve modelling techniques in drug design – influence of test set composition
Citation: Chemistry Central Journal 2009 3(Suppl 1):P64 -
Fuzzy virtual ligands for virtual screening
Citation: Chemistry Central Journal 2009 3(Suppl 1):P63 -
DrugscoreMapsvisualizing similarities in protein-ligand interactions
Citation: Chemistry Central Journal 2009 3(Suppl 1):P61 -
Predicting interactions between small molecules and RNA
Citation: Chemistry Central Journal 2009 3(Suppl 1):P59 -
Molecular modeling studies of lipase-catalyzed β-lactam polymerization
Citation: Chemistry Central Journal 2009 3(Suppl 1):P57 -
Molecular modeling studies on dengue and West Nile Virus NS2B/NS3 protease inhibitor interaction
Citation: Chemistry Central Journal 2009 3(Suppl 1):P55 -
Multi-scale modelling of macromolecular conformational changes
Citation: Chemistry Central Journal 2009 3(Suppl 1):P53 -
Dissecting the mechanism of adenosine kinase inhibition: new insights for drug designing
Citation: Chemistry Central Journal 2009 3(Suppl 1):P51 -
Designing binding pockets on protein surfaces using the A* algorithm
Citation: Chemistry Central Journal 2009 3(Suppl 1):P49 -
A distance-based method for evaluating protein-structures
Citation: Chemistry Central Journal 2009 3(Suppl 1):P47 -
Glide XP fragment docking and structurebased pharmacophores
Citation: Chemistry Central Journal 2009 3(Suppl 1):P45 -
Crystallographic and theoretical investigation of interactions of water molecule with aryl ring
Citation: Chemistry Central Journal 2009 3(Suppl 1):P43 -
Personalised information spaces for chemical digital libraries
Citation: Chemistry Central Journal 2009 3(Suppl 1):P41 -
Implication of heteroatom tautomer in QSAR models
Citation: Chemistry Central Journal 2009 3(Suppl 1):P39 -
Comparison of some linear regression methods – available in R – for a QSPR problem
Citation: Chemistry Central Journal 2009 3(Suppl 1):P37 -
Reliability analysis of functional CNT
Citation: Chemistry Central Journal 2009 3(Suppl 1):P35 -
Atomistic modelling of ion aggregation from solution and the self-organization of nanocrystals and nanocomposite biomaterials
Citation: Chemistry Central Journal 2009 3(Suppl 1):P33 -
A benchmark data set for in silico prediction of ames mutagenicity
Citation: Chemistry Central Journal 2009 3(Suppl 1):P31 -
EAI-TupletScore, a pharmacophore and shape driven ligand-based de-novo design algorithm
Citation: Chemistry Central Journal 2009 3(Suppl 1):P29 -
Sublinear ligand-based virtual screening using bitmap indices
Citation: Chemistry Central Journal 2009 3(Suppl 1):P27 -
From screening to searching: an index-driven approach to structure-based lead identification
Citation: Chemistry Central Journal 2009 3(Suppl 1):P24 -
Investigation on the reaction mechanism of ribonuclease enzymes
Citation: Chemistry Central Journal 2009 3(Suppl 1):O23 -
Knowledge-driven multi-objective de novodrug design
Citation: Chemistry Central Journal 2009 3(Suppl 1):P22 -
Probing dynamic water molecules with rigid-ligand complexes
Citation: Chemistry Central Journal 2009 3(Suppl 1):O20 -
Analyzing molecular landscapes using random walks and information theory
Citation: Chemistry Central Journal 2009 3(Suppl 1):P20 -
Fast and accurate method for flexible ligand superposition and shapebased screening
Citation: Chemistry Central Journal 2009 3(Suppl 1):O19 -
Incorporating QSPR in the enumeration of fragment space
Citation: Chemistry Central Journal 2009 3(Suppl 1):P18 -
Seamless integration of the PubChem database into an universal scriptable chemical information processing environment
Citation: Chemistry Central Journal 2009 3(Suppl 1):O16 -
New and improved features of the docking software PLANTS
Citation: Chemistry Central Journal 2009 3(Suppl 1):P16 -
The perfect fit? Balancing predictive power and computational complexity for an atomistic model as prerequisite for nano-scale simulations
Citation: Chemistry Central Journal 2009 3(Suppl 1):O14 -
Ligand protonation states and stereoisomers in virtual screening
Citation: Chemistry Central Journal 2009 3(Suppl 1):P14 -
Computational nanoscience
Citation: Chemistry Central Journal 2009 3(Suppl 1):O12 -
Visualisation and exploitation of the chemical space covered by patents
Citation: Chemistry Central Journal 2009 3(Suppl 1):P12 -
Efficient ant colony optimization algorithms for structure- and ligand-based drug design
Citation: Chemistry Central Journal 2009 3(Suppl 1):O10 -
Assessing the selectivity of serine proteases inhibitors using structural similarity
Citation: Chemistry Central Journal 2009 3(Suppl 1):P10 -
Web-based computational chemistry
Citation: Chemistry Central Journal 2009 3(Suppl 1):P9 -
Tools for prediction of xenobiotics interaction with human cytochrome P450
Citation: Chemistry Central Journal 2009 3(Suppl 1):P8 -
A novel method for predicting ligand regioselectivity to metabolism by the CYP3A4 enzyme
Citation: Chemistry Central Journal 2009 3(Suppl 1):O8 -
Quantification and visualization of structure-activity-relationships at multiple levels of detail
Citation: Chemistry Central Journal 2009 3(Suppl 1):P6 -
A new approach to kernel based data analysis algorithms
Citation: Chemistry Central Journal 2009 3(Suppl 1):O6 -
Analysis of structure-selectivity relationships through single- or dual step selectivity searching using 2D molecular fingerprints
Citation: Chemistry Central Journal 2009 3(Suppl 1):P4 -
SQUIRRELnovo: de novo design of a PPARα agonist by bioisosteric replacement
Citation: Chemistry Central Journal 2009 3(Suppl 1):O4 -
Investigation of the incidence of "undesirable" molecular moieties for high-throughput screening compound libraries in marketed drug compounds
Citation: Chemistry Central Journal 2009 3(Suppl 1):P2 -
Systematic computational SAR analysis
Citation: Chemistry Central Journal 2009 3(Suppl 1):O2
Annual Journal Metrics
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2022 Citation Impact
4.6 - 2-year Impact Factor
4.4 - 5-year Impact Factor
1.285 - SNIP (Source Normalized Impact per Paper)
0.607 - SJR (SCImago Journal Rank)2023 Speed
23 days submission to first editorial decision for all manuscripts (Median)
151 days submission to accept (Median)2023 Usage
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