E. Gancia

发表

Selecting Screening Candidates for Kinase and G Protein-Coupled Receptor Targets Using Neural Networks

Martyn G. Ford, David C. Whitley, Emanuela Gancia, 2002, J. Chem. Inf. Comput. Sci..

Outstanding challenges in protein–ligand docking and structure‐based virtual screening

D. E. Clark, E. Gancia, B. Waszkowycz, 2011 .

Selecting Screening Candidates for Kinase and G Protein‐Coupled Receptor Targets Using Neural Networks.

D. Manallack, D. Livingstone, W. Pitt, 2002 .

Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 1: Application to Phenols and Carboxylic Acids.

Emanuela Gancia, Benjamin G Tehan, David T. Manallack, 2002 .

Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 2: Application to Amines, Anilines and Various Nitrogen Containing Heterocyclic Compounds.

Emanuela Gancia, Benjamin G Tehan, David T. Manallack, 2002 .

Modelling Structure‐Activity Relationships

Darren V. S. Green, Emanuela Gancia, Gianpaolo Bravi, 2000 .

A reversed sulfonamide series of selective RORc inverse agonists.

Bohdan Waszkowycz, Emanuela Gancia, Peter Lockey, 2014, Bioorganic & medicinal chemistry letters.

8-Fluoroimidazo[1,2-a]pyridine: synthesis, physicochemical properties and evaluation as a bioisosteric replacement for imidazo[1,2-a]pyrimidine in an allosteric modulator ligand of the GABA A receptor.

E. Gancia, D. Hallett, Myra T Gilligan, 2006, Bioorganic & medicinal chemistry letters.

Mycobacterium tuberculosis Chaperonin 10 Is Secreted in the Macrophage Phagosome: Is Secretion Due to Dissociation and Adoption of a Partially Helical Structure at the Membrane?

E. Gancia, F. Mangili, B. Casetta, 2003, Journal of bacteriology.

The Rational Design of Selective Benzoxazepin Inhibitors of the α-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).

S. Steinbacher, Steve Price, E. Gancia, 2016, Journal of medicinal chemistry.

Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.

M. Gill, G. Médard, E. Gancia, 2015, Journal of medicinal chemistry.

A Consensus Neural Network-Based Technique for Discriminating Soluble and Poorly Soluble Compounds

Brian D. Hudson, Martyn G. Ford, David C. Whitley, 2003, J. Chem. Inf. Comput. Sci..

MS-WHIM Scores for Amino Acids: A New 3D-Description for Peptide QSAR and QSPR Studies

Andrea Zaliani, Emanuela Gancia, E. Gancia, 1999, J. Chem. Inf. Comput. Sci..

Discovery of novel allosteric mitogen-activated protein kinase kinase (MEK) 1,2 inhibitors possessing bidentate Ser212 interactions.

P. Savy, Steve Price, M. Belvin, 2012, Journal of medicinal chemistry.

Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).

Hoai An Le Thi, E. Gancia, BinQing Wei, 2021, ACS medicinal chemistry letters.

Discovery of LRRK2 inhibitors by using an ensemble of virtual screening methods.

Emanuela Gancia, D. E. Clark, E. Gancia, 2017, Bioorganic & medicinal chemistry letters.

MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroids

Roberto Todeschini, Andrea Zaliani, Emanuela Gancia, 1997, J. Comput. Aided Mol. Des..

SONHICA (Simple optimized non‐HIerarchical Cluster Analysis): A new tool for analysis of molecular conformations

Emanuela Gancia, Gianpaolo Bravi, Monica Pegna, 1997 .

Theoretical hydrogen bonding parameters for drug design.

D. Manallack, E. Gancia, J. Montana, 2001, Journal of molecular graphics & modelling.

Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).

Hoai An Le Thi, E. Gancia, Weiru Wang, 2021, ACS medicinal chemistry letters.