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Items: 12


Mosquito Acetylcholinesterase as a Target for Novel Phenyl-Substituted Carbamates.

Mutunga JM, Ma M, Chen QH, Hartsel JA, Wong DM, Ding S, Totrov M, Carlier PR, Bloomquist JR.

Int J Environ Res Public Health. 2019 Apr 28;16(9). pii: E1500. doi: 10.3390/ijerph16091500.


Select β- and γ-branched 1-alkylpyrazol-4-yl methylcarbamates exhibit high selectivity for inhibition of Anopheles gambiae versus human acetylcholinesterase.

Carlier PR, Chen QH, Verma A, Wong DM, Mutunga JM, Müller J, Islam R, Shimozono AM, Tong F, Li J, Totrov M, Bloomquist JR.

Pestic Biochem Physiol. 2018 Oct;151:32-39. doi: 10.1016/j.pestbp.2018.02.003. Epub 2018 Feb 13.


Discovery of Species-selective and Resistance-breaking Anticholinesterase Insecticides for the Malaria Mosquito.

Carlier PR, Bloomquist JR, Totrov M, Li J.

Curr Med Chem. 2017;24(27):2946-2958. doi: 10.2174/0929867324666170206130024. Review.


Rationally Designed Immunogens Targeting HIV-1 gp120 V1V2 Induce Distinct Conformation-Specific Antibody Responses in Rabbits.

Jiang X, Totrov M, Li W, Sampson JM, Williams C, Lu H, Wu X, Lu S, Wang S, Zolla-Pazner S, Kong XP.

J Virol. 2016 Nov 28;90(24):11007-11019. Print 2016 Dec 15.


Rationally Designed Vaccines Targeting the V2 Region of HIV-1 gp120 Induce a Focused, Cross-Clade-Reactive, Biologically Functional Antibody Response.

Zolla-Pazner S, Powell R, Yahyaei S, Williams C, Jiang X, Li W, Lu S, Wang S, Upadhyay C, Hioe CE, Totrov M, Kong X.

J Virol. 2016 Nov 28;90(24):10993-11006. Print 2016 Dec 15.


Structure/Function Studies Involving the V3 Region of the HIV-1 Envelope Delineate Multiple Factors That Affect Neutralization Sensitivity.

Zolla-Pazner S, Cohen SS, Boyd D, Kong XP, Seaman M, Nussenzweig M, Klein F, Overbaugh J, Totrov M.

J Virol. 2015 Oct 21;90(2):636-49. doi: 10.1128/JVI.01645-15. Print 2016 Jan 15.


FOCUS--Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists.

Stiefl N, Gedeck P, Chin D, Hunt P, Lindvall M, Spiegel K, Springer C, Biller S, Buenemann C, Kanazawa T, Kato M, Lewis R, Martin E, Polyakov V, Tommasi R, van Drie J, Vash B, Whitehead L, Xu Y, Abagyan R, Raush E, Totrov M.

J Chem Inf Model. 2015 Apr 27;55(4):896-908. doi: 10.1021/ci500598e. Epub 2015 Apr 13.


Docking to multiple pockets or ligand fields for screening, activity prediction and scaffold hopping.

Chen YC, Totrov M, Abagyan R.

Future Med Chem. 2014;6(16):1741-55. doi: 10.4155/fmc.14.113.


ALiBERO: evolving a team of complementary pocket conformations rather than a single leader.

Rueda M, Totrov M, Abagyan R.

J Chem Inf Model. 2012 Oct 22;52(10):2705-14. doi: 10.1021/ci3001088. Epub 2012 Sep 17.


A new method for publishing three-dimensional content.

Raush E, Totrov M, Marsden BD, Abagyan R.

PLoS One. 2009 Oct 20;4(10):e7394. doi: 10.1371/journal.pone.0007394. No abstract available.


Computer applications for prediction of protein-protein interactions and rational drug design.

Grosdidier S, Totrov M, Fernández-Recio J.

Adv Appl Bioinform Chem. 2009;2:101-23. Epub 2009 Nov 10.


Optimal docking area: a new method for predicting protein-protein interaction sites.

Fernandez-Recio J, Totrov M, Skorodumov C, Abagyan R.

Proteins. 2005 Jan 1;58(1):134-43.


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