Articles
Page 35 of 39
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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 -
Components for computer-assisted structure elucidation
Citation: Chemistry Central Journal 2009 3(Suppl 1):P62 -
Theoretical structural metabolomics
Citation: Chemistry Central Journal 2009 3(Suppl 1):P60 -
Modeling of inclusion complexes of amylose and synthetical polymers
Citation: Chemistry Central Journal 2009 3(Suppl 1):P58 -
Evaluation of the performance of 3D virtual screening programs: docking vs. structure-based pharmacophore
Citation: Chemistry Central Journal 2009 3(Suppl 1):P56 -
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 -
Additive inductive learning in QSAR/QSPR studies and molecular modeling
Citation: Chemistry Central Journal 2009 3(Suppl 1):P25 -
Investigation on the reaction mechanism of ribonuclease enzymes
Citation: Chemistry Central Journal 2009 3(Suppl 1):O23 -
Modelling the multi-target selectivity: o-phosphorylated oximes as serine hydrolase inhibitors
Citation: Chemistry Central Journal 2009 3(Suppl 1):P23 -
Combined quantum mechanical and molecular mechanical methods to study chemical events in complex biological environments
Citation: Chemistry Central Journal 2009 3(Suppl 1):O21 -
XFb – a combined approach for 2D ring drawing
Citation: Chemistry Central Journal 2009 3(Suppl 1):P21 -
Fast and accurate method for flexible ligand superposition and shapebased screening
Citation: Chemistry Central Journal 2009 3(Suppl 1):O19 -
Distance-dependent: characterizing virtual screening datasets
Citation: Chemistry Central Journal 2009 3(Suppl 1):P19 -
Detection, analysis, and visualization of relevant scaffolds in medicinal chemistry project databases
Citation: Chemistry Central Journal 2009 3(Suppl 1):O17 -
MUVing SAFEly: Scale for Assessing Figures of Effectiveness (SAFE) in virtual screening using Maximum Unbiased Validation (MUV) datasets
Citation: Chemistry Central Journal 2009 3(Suppl 1):P17 -
New and improved features of the docking software PLANTS
Citation: Chemistry Central Journal 2009 3(Suppl 1):P16 -
Open access: does it address our problems?
Citation: Chemistry Central Journal 2009 3(Suppl 1):O15 -
Ligand protonation states and stereoisomers in virtual screening
Citation: Chemistry Central Journal 2009 3(Suppl 1):P14 -
Crystal structures of moderately complex organic molecules are predictable
Citation: Chemistry Central Journal 2009 3(Suppl 1):O13 -
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 -
A novel method for predicting ligand regioselectivity to metabolism by the CYP3A4 enzyme
Citation: Chemistry Central Journal 2009 3(Suppl 1):O8 -
A detailed aanalysis of diphosphate binding sites in proteins
Citation: Chemistry Central Journal 2009 3(Suppl 1):P7 -
A new approach to kernel based data analysis algorithms
Citation: Chemistry Central Journal 2009 3(Suppl 1):O6 -
Complexity effects in fingerprint similarity searching
Citation: Chemistry Central Journal 2009 3(Suppl 1):P5 -
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 -
4th German Conference on Chemoinformatics: 22. CIC-Workshop. November 9–11, 2008, Goslar, Germany
Citation: Chemistry Central Journal 2009 3(Suppl 1):I1
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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