AutoMap: A tool for analyzing protein–ligand recognition using multiple ligand binding modes

QR Code

AutoMap: A tool for analyzing protein–ligand recognition using multiple ligand binding modes

Bibliographic Details
Main Authors:	Agostino, Mark, Mancera, Ricardo, Ramsland, P., Yuriev, E.
Format:	Journal Article
Published:	Elsevier 2013
Online Access:	http://hdl.handle.net/20.500.11937/7852

Similar Items

Antibody-Carbohydrate Recognition from Docked Ensembles Using the AutoMap Procedure.
by: Dingjan, T., et al.
Published: (2015)

Identification of preferred carbohydrate binding modes in xenoreactive antibodies by combining conformational filters and binding site maps
by: Agostino, Mark, et al.
Published: (2010)

Molecular dynamics simulations of ligand-induced backbone conformational changes in the binding site of the periplasmic lysine-, arginine-, ornithine-binding protein
by: Yang, A., et al.
Published: (2008)

Ligand-protein docking with water molecules
by: Roberts, Benjamin, et al.
Published: (2008)

Docking of carbohydrates into protein binding sites
by: Agostino, Mark, et al.
Published: (2012)

Ligand-protein cross-docking with water molecules
by: Thilagavathi, R., et al.
Published: (2010)

Free energy calculations of mutations involving a tightly bound water molecule and ligand substitutions in a ligand-protein complex
by: Garcia-sosa, A., et al.
Published: (2010)

Antibody-ligand docking: Insights into peptide-carbohydrate mimicry
by: Yuriev, E., et al.
Published: (2008)

Carbene footprinting accurately maps binding sites in protein–ligand and protein–protein interactions
by: Manzi, Lucio, et al.
Published: (2016)

Antibody Recognition of Cancer-Related Gangliosides and Their Mimics Investigated Using in silico Site Mapping
by: Agostino, Mark, et al.
Published: (2012)

Ligand recognition by the major urinary protein
by: Roy, Julie
Published: (2012)

Tighter Ligand Binding Can Compensate for Impaired Stability of an RNA-Binding Protein
by: Wallis, C.P., et al.
Published: (2018)

Application of BRET to monitor ligand binding to GPCRs
by: Stoddart, Leigh A., et al.
Published: (2015)

The carbohydrate-binding promiscuity of Euonymus europaeus lectin is predicted to involve a single binding site
by: Agostino, Mark, et al.
Published: (2015)

Molecular docking of carbohydrate ligands to antibodies: Structural validation against crystal structures
by: Agostillo, M., et al.
Published: (2009)

A computational approach for exploring carbohydrate recognition by lectins in innate immunity
by: Agostino, Mark, et al.
Published: (2011)

Characterisation of Recombinant Aryl Hydrocarbon Receptor Ligand Binding Domain
by: Jiang, Tao
Published: (2004)

Cell adhesion: stochastic receptor-ligand binding under force
by: Bagdasar, Ovidiu
Published: (2011)

Dynamics of ligand and nanobody binding at CXCR4/EGFR complexes
by: Comez, Dehan
Published: (2025)

GPCRs through the keyhole: the role of protein flexibility in ligand binding to β-adrenoceptors
by: Emtage, Abigail L., et al.
Published: (2016)

Expression of the Caenorhabditis elegans aryl hydrocarbon receptor ligand binding domain
by: Helaly, Ahmed
Published: (2011)

Recombinant expression of Aryl Hydrocarbon Receptor for quantitative ligand-binding analysis
by: Fan, MingQi, et al.
Published: (2009)

Practical Aspects of the Ligand-Binding and Enzymatic Properties of Human Serum Albumin
by: Kragh-Hansen, U., et al.
Published: (2002)

Determination of natural organic Fe (III) binding ligand at Pulau Perhentian
by: Azahar, Nur Imanina, et al.
Published: (2016)

Modelling the influence of ligand binding towards the structure and dynamics of protein arginine deiminase IV
by: Ibrahim, Zalikha
Published: (2017)

Water & O-donor Ligands
by: Ogden, Mark, et al.
Published: (2006)

Development and application of site mapping methods for the design of glycosaminoglycans
by: Agostino, Mark, et al.
Published: (2014)

Use of a new proximity assay (NanoBRET) to investigate the ligand binding characteristics of three fluorescent ligands to the human β1-adrenoceptor expressed in HEK-293 cells
by: Soave, Mark, et al.
Published: (2016)

The effect of tightly-bound water molecules on scaffold diversity in computer-aided de novo ligand design of CDK2 inhibitors
by: Garcia-sosa, A., et al.
Published: (2006)

Using ancillary ligands to tune the DNA binding properties of self-assembled luminescent metallomacrocycles
by: Ahmad, Haslina, et al.
Published: (2014)

Molecular simulation of protein-ligand complexes
by: Guest, Ellen
Published: (2022)

Altered peptide ligands of myelin basic protein (MBP87-99) conjugated to reduced mannan modulate immune responses in mice
by: Katsara, M., et al.
Published: (2009)

Long chain fatty acids alter the interactive binding of ligands to the two principal drug binding sites of human serum albumin
by: Yamasaki, K., et al.
Published: (2017)

Uncoupling the structure–activity relationships of β2 adrenergic receptor ligands from membrane binding
by: Dickson, Callum J., et al.
Published: (2016)

Structural insight into ligand binding interactions with DEN2 and DEN3 proteases / Pratheev Alagappan
by: Alagappan, Pratheev
Published: (2012)

Metal ions binding by chelating ligands from new polymer bearing amidoxime functional groups
by: Lutfor, M.R., et al.
Published: (2000)

Prediction of heparin binding sites in bone morphogenetic proteins (BMPs)
by: Gandhi, Neha, et al.
Published: (2012)

Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification through the in Silico Generation of Poly(ADP-ribose)polymerase Ligands
by: Mancera, Ricardo, et al.
Published: (2005)

Structural glycobiology of antibody recognition in xenotransplantation and cancer immunotherapy
by: Agostino, Mark, et al.
Published: (2012)

Development of novel fluorescent histamine H₁-receptor antagonists to study ligand-binding kinetics in living cells
by: Stoddart, Leigh A., et al.
Published: (2018)

Cannot write session to /tmp/vufind_sessions/sess_47bchj9rhg1l1uaa6mffgi5v4p