Ligand-protein cross-docking with water molecules

QR Code

Ligand-protein cross-docking with water molecules

Bibliographic Details
Main Authors:	Thilagavathi, R., Mancera, Ricardo
Format:	Journal Article
Published:	American Chemical Society 2010
Online Access:	http://hdl.handle.net/20.500.11937/4933

Similar Items

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

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)

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)

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)

AutoMap: A tool for analyzing protein–ligand recognition using multiple ligand binding modes
by: Agostino, Mark, et al.
Published: (2013)

Optimization of protein-protein docking for predicting Fc-protein interactions
by: Agostino, Mark, et al.
Published: (2016)

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)

Homology Modeling and Molecular Docking Studies on Type II Diabetes Complications Reduced PPARγ Receptor with Various Ligand Molecules
by: Prabhu, S., et al.
Published: (2017)

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

Docking Of Protein With Flavonoids.
by: Ng, Pei Ling, et al.
Published: (2003)

Does the sars-cov-2 spike protein receptor binding domain interact effectively with the dpp4 (Cd26) receptor? A molecular docking study
by: Cameron, Kirsten, et al.
Published: (2021)

SSGARL: hybrid evolutionary computation and reinforcement learning for flexible ligand docking
by: Marlisah, Erzam, et al.
Published: (2014)

Modelling of Simple Cross Docking Facility
by: Haridas, Anuroop
Published: (2013)

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

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

Platelet endothelial cell adhesion molecule (PECAM-1) and its interactions with glycosaminoglycans 1. Molecular modelling studies
by: Gandhi, Neha, et al.
Published: (2008)

The Structure of Glycosaminoglycans and their Interactions with Proteins
by: Gandhi, Neha, et al.
Published: (2008)

Free energy calculations of glycosaminoglycan-protein interactions
by: Gandhi, Neha, et al.
Published: (2009)

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

In silico homology modelling and identification of Tousled-like kinase 1 inhibitors for glioblastoma therapy via high throughput virtual screening protein-ligand docking
by: Kamariah Ibrahim,, et al.
Published: (2018)

Identification of α-glucosidase inhibitorsfrom Clinacanthus nutans leaf extract using liquid chromatography-mass spectrometry-based metabolomics and protein-ligand interaction with molecular docking
by: Murugesu, Suganya, et al.
Published: (2019)

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

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

A New Method for Estimating the Importance of Hydrophobic Groups in the Binding Site of a Protein
by: Kelly, M., et al.
Published: (2005)

Cardiolipin is required for membrane docking of mitochondrial ribosomes and protein synthesis
by: Lee, R.G., et al.
Published: (2020)

Development of a cross docking system model for distribution centers
by: Sheikholeslam, Mohammadnassir
Published: (2014)

Identification of α-glucosidase inhibitors from Clinacanthus nutans leaf extract using liquid chromatography-mass spectrometry-based metabolomics and protein-ligand interaction with molecular docking
by: Murugesu, Suganya, et al.
Published: (2019)

Electrochemistry of proteins at the interface between two immiscible electrolyte solutions
by: Arrigan, Damien, et al.
Published: (2018)

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

Small molecule inhibitors of the p53-MDM2 protein-protein interaction
by: Fitzgerald, Ross Patrick
Published: (2011)

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

Platelet endothelial cell adhesion molecule (PECAM-1) and its interactions with glycosaminoglycans 2. Biochemical analyses
by: Coombe, Deidre, et al.
Published: (2008)

Characterization of Protein-Facilitated Ion-Transfer Mechanism at a Polarized Aqueous/Organic Interface
by: Arooj, Mahreen, et al.
Published: (2019)

Characterization of the Glass Transition of Water Predicted by Molecular Dynamics Simulations Using Nonpolarizable Intermolecular Potentials
by: Kreck, Cara, et al.
Published: (2014)

Unlocking therapeutic potential: identifying small molecule inhibitors for SARSCOV-2 variants’ main protease (MPRO) through molecular docking analysis
by: Chong, Yie Woon, et al.
Published: (2024)

Molecular docking
by: Abduallah Alsafi, Hassen Mohammed, et al.
Published: (2011)

Three-dimensional cross sections for electron impact ionization of atoms and molecules
by: Ren, X., et al.
Published: (2010)

Covalent Linkages of Molecules and Proteins to Si-H Surfaces Formed by Disulfide Reduction
by: Dief, Essam, et al.
Published: (2020)

Improving pharmaceutical warehouse supply chain lead time – From production to cross-docking
by: Ahmed Zainul, Abideen, et al.
Published: (2019)

Molecular dynamics simulations of a DMSO/water mixture using the AMBER force field
by: Stachura, S., et al.
Published: (2018)