D. Kombo

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3D Molecular Descriptors Important for Clinical Success

David Kombo, Kartik Tallapragada, Rachit Jain, 2013, J. Chem. Inf. Model..

Identification and pharmacological characterization of 3,6-diazabicyclo[3.1.1]heptane-3-carboxamides as novel ligands for the α4β2 and α6/α3β2β3 nicotinic acetylcholine receptors (nAChRs).

D. Kombo, A. Mazurov, J. Speake, 2014, European journal of medicinal chemistry.

Novel nicotinic acetylcholine receptor agonists containing carbonyl moiety as a hydrogen bond acceptor.

D. Kombo, A. Mazurov, T. Hauser, 2013, Bioorganic & medicinal chemistry letters.

QM-polarized ligand docking accurately predicts the trend in binding affinity of a series of arylmethylene quinuclidine-like derivatives at the α4β2 and α3β4 nicotinic acetylcholine receptors (nAChRs).

D. Kombo, T. Hauser, M. Bencherif, 2013, Bioorganic & medicinal chemistry letters.

Discovery of 3-(5-chloro-2-furoyl)-3,7-diazabicyclo[3.3.0]octane (TC-6683, AZD1446), a novel highly selective α4β2 nicotinic acetylcholine receptor agonist for the treatment of cognitive disorders.

D. Kombo, A. Mazurov, J. Speake, 2012, Journal of medicinal chemistry.

Molecular dynamics simulation accurately predicts the experimentally‐observed distributions of the (C, N, O) protein atoms around water molecules and sodium ions

D. Kombo, D. Beveridge, M. Young, 2000, Proteins.

Discovery of (2S,3R)-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzo[b]furan-2-carboxamide (TC-5619), a selective α7 nicotinic acetylcholine receptor agonist, for the treatment of cognitive disorders.

Gary Maurice Dull, Terry A. Hauser, Yun-De Xiao, 2012, Journal of medicinal chemistry.

Comparison of acetylcholine receptor interactions of the marine toxins, 13-desmethylspirolide C and gymnodimine

D. Kombo, T. Hauser, D. Yohannes, 2012, Neuropharmacology.

Discovery of novel α7 nicotinic acetylcholine receptor ligands via pharmacophoric and docking studies of benzylidene anabaseine analogs.

D. Kombo, Kartik Tallapragada, J. Chewning, 2012, Bioorganic & medicinal chemistry letters.

Theoretical Studies of Hydrogen Abstraction from 2-Propanol by OH Radical

R. Osman, D. Kombo, N. Luo, 1997 .

Calculation of the Affinity of the λ Repressor-Operator Complex Based on Free Energy Component Analysis

D. Kombo, D. Beveridge, K. McConnell, 2002 .

Molecular dynamics simulation reveals sequence-intrinsic and protein-induced geometrical features of the OL1 DNA operator.

D. Kombo, D. Beveridge, K. McConnell, 2001, Biopolymers.

One nanosecond molecular dynamics simulation of the N‐terminal domain of the λ repressor protein

D. Kombo, D. Beveridge, M. Young, 2000 .

Computational analysis of variants of the operator binding domain of the bacteriophage ? repressor

S. Rackovsky, D. Kombo, D. Beveridge, 1999 .

Making SharePoint® Chemically Aware™

David Kombo, Kartik Tallapragada, Joseph Chewning, 2012, Journal of Cheminformatics.

Comparative Study on the Use of Docking and Bayesian Categorization To Predict Ligand Binding to Nicotinic Acetylcholine Receptors (nAChRs) Subtypes

David Kombo, Merouane Bencherif, D. Kombo, 2013, J. Chem. Inf. Model..

Pharmacological properties and predicted binding mode of arylmethylene quinuclidine-like derivatives at the α3β4 nicotinic acetylcholine receptor (nAChR).

D. Kombo, Kartik Tallapragada, J. Chewning, 2013, Bioorganic & medicinal chemistry letters.

Docking studies of benzylidene anabaseine interactions with α7 nicotinic acetylcholine receptor (nAChR) and acetylcholine binding proteins (AChBPs): application to the design of related α7 selective ligands.

Montserrat G. Vásquez-Valdivieso, P. Taylor, D. Kombo, 2011, European journal of medicinal chemistry.