Cargando…

COSMOsim3D for drug-similarity, alignment, and molecular field analysis

Detalles Bibliográficos
Autores principales:	Klamt, Andreas, Wichmann, Karin, Thormann, Michael
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2012
Materias:	Poster Presentation
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3341303/ http://dx.doi.org/10.1186/1758-2946-4-S1-P18

Ejemplares similares

COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
por: Thormann, M, et al.
Publicado: (2008)

Molecular similarity for machine learning in drug development
por: Rupp, M, et al.
Publicado: (2008)

Flexible alignment in 3D and its applications
por: Kalaszi, A, et al.
Publicado: (2011)

Bioisosteric similarity of drugs in virtual screening
por: Hutter, Michael C, et al.
Publicado: (2010)

Comparison of ATP binding sites using structure-based similarity methods and molecular interaction fields
por: Dreher, J, et al.
Publicado: (2011)

3D-QSAR reloaded: Open3DALIGN meets COSMOsar3D
por: Tosco, Paolo, et al.
Publicado: (2013)

Efficient 3D pharmacophore alignment as a tool for structure-based modeling and scoring
por: Wolber, Gerhard
Publicado: (2008)

Novel binding pocket descriptors based on DrugScore potential fields encoded by 3D Zernike descriptors
por: Nisius, Britta, et al.
Publicado: (2012)

A 3D-QSAR model for cannabinoid receptor (CB2) ligands derived from aligned pharmacophors
por: Günther, Robert, et al.
Publicado: (2013)

Neural field simulator: fast computation and 3D-visualization
por: Nichols, Eric J, et al.
Publicado: (2013)

Reduced field-of-view stack-of-spirals enables high spatiotemporal resolution 3D perfusion imaging
por: Yang, Yang, et al.
Publicado: (2016)

Relating GPCRs pharmacological space based on ligands chemical similarities
por: Koutsoukas, Alexios, et al.
Publicado: (2013)

Molecular field topology analysis and structure generation
por: Palyulin, VA, et al.
Publicado: (2008)

Alignment-free methods for metagenomic profiling
por: Gao, Shanshan, et al.
Publicado: (2015)

The loss of healthy life time is similarly high for both food allergy and intolerance sufferers
por: Arens-Volland, Andreas, et al.
Publicado: (2015)

Aortic 4D flow: quantifying the effects of contrast and field strength at 1.5 T, 3T and 7T
por: Hess, Aaron T, et al.
Publicado: (2014)

Drugs inducing T-cell mediated cutaneous adverse reactions and contact sensitizers evoke similar responses in THP-1 cells
por: Gonçalo, Margarida, et al.
Publicado: (2014)

Solvent-screening and co-crystal screening for drug development with COSMO-RS
por: Klamt, A
Publicado: (2012)

Structure and function analysis of flexible alignment regions in proteins
por: Pirovano, Walter, et al.
Publicado: (2009)

A distributed framework for aligning short reads to genomes
por: Guo, Shanshan, et al.
Publicado: (2014)

Alignment of short reads to multiple genomes using hashing
por: Tran, Quang, et al.
Publicado: (2014)

Prediction of kinase inhibitors cross-reaction on the basis of kinase ATP cavity similarities: a study using PKSIM protein similarity score
por: Zaliani, A, et al.
Publicado: (2008)

Turnover of nurse anesthetists: the similarities and differences between countries
por: Mahoney, Christine, et al.
Publicado: (2014)

Multiple alignment and structure prediction of non-coding RNA sequences
por: Lindgreen, Stinus, et al.
Publicado: (2007)

ShMOLLI and 5(4R) 3 MOLLI T1 mapping in HCM detect similar ECV despite a difference in absolute T1 measurements
por: Gonzalez, Jorge A, et al.
Publicado: (2015)

3D high content imaging: high level phenotypic quantification new opportunity for drug discovery
por: Dorval, Thierry, et al.
Publicado: (2011)

Taurine chloramine decreases cell viability and cytokine production in blood and spleen lymphocytes from septic rats submitted to sepsis
por: Dall'Igna, Dhébora Mozena, et al.
Publicado: (2013)

Potency-directed similarity searching using support vector machines
por: Heikamp, Kathrin, et al.
Publicado: (2012)

Analyzing spike train similarity measures: the effects of bursts and silence
por: Lyttle, David, et al.
Publicado: (2010)

Extended graph-based models for enhanced similarity retrieval in Cavbase
por: Krotzky, Timo, et al.
Publicado: (2013)

Accelerating turbo similarity searching in chemoinformatics on multicore and GPU platforms
por: Al Laila, Marwah Haitham, et al.
Publicado: (2014)

Preclinical pharmacodynamics and safety profiling of AZD9773: a novel anti-TNFα polyclonal immune ovine Fab similar to D-CytoFab
por: Newham, P, et al.
Publicado: (2011)

Improving variant calling by incorporating known genetic variants into read alignment
por: Vo, Nam S, et al.
Publicado: (2015)

The impact of the leg-lengthening total hip arthroplasty on the coronal alignment of the spine
por: Abe, Yuichiro, et al.
Publicado: (2015)

Structural analyses of antigen binding similarities and differences between rabbit and human anti-gp120 V3 mAbs
por: Pan, R, et al.
Publicado: (2012)

Ago-associated human usRNAs and other similar small RNAs
por: Li, Zhihua, et al.
Publicado: (2010)

SPIKY: A graphical user interface for tracking spike train similarity
por: Kreuz, Thomas, et al.
Publicado: (2014)

P028. Childhood migraine, epilepsy and tics: Are there similarities in the psychological profile?
por: Tarantino, Samuela, et al.
Publicado: (2015)

BIOS: Similarity-based design of natural product derived compound collections
por: Wetzel, S, et al.
Publicado: (2008)

Fragment-based identification of multi-target ligands by self-organizing map alignment
por: Achenbach, Janosch, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_6jka3gap3dtml89pv768ne9qg2