Jeffrey Wagner

TitlePostdoctoral Scholar
InstitutionUniversity of California San Diego
DepartmentChemistry and Biochemistry
Address9500 Gilman Drive #0340
La Jolla CA 92093
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    1. Wagner J, Sørensen J, Hensley N, Wong C, Zhu C, Perison T, Amaro RE. POVME 3.0: Software for Mapping Binding Pocket Flexibility. J Chem Theory Comput. 2017 Sep 12; 13(9):4584-4592. PMID: 28800393.
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    2. Wagner J, Lee CT, Durrant JD, Malmstrom RD, Feher VA, Amaro RE. Emerging Computational Methods for the Rational Discovery of Allosteric Drugs. Chem Rev. 2016 06 08; 116(11):6370-90. PMID: 27074285; PMCID: PMC4901368.
    3. Larsen AB, Wagner J, Kandel S, Salomon-Ferrer R, Vaidehi N, Jain A. GneimoSim: a modular internal coordinates molecular dynamics simulation package. J Comput Chem. 2014 Dec 05; 35(31):2245-55. PMID: 25263538; PMCID: PMC4211970.
    4. Larsen AB, Wagner J, Jain A, Vaidehi N. Protein structure refinement of CASP target proteins using GNEIMO torsional dynamics method. J Chem Inf Model. 2014 Feb 24; 54(2):508-17. PMID: 24397429; PMCID: PMC3985798.
    5. Gangupomu VK, Wagner J, Park IH, Jain A, Vaidehi N. Mapping conformational dynamics of proteins using torsional dynamics simulations. Biophys J. 2013 May 07; 104(9):1999-2008. PMID: 23663843; PMCID: PMC3647154.
    6. Wagner J, Balaraman GS, Niesen MJ, Larsen AB, Jain A, Vaidehi N. Advanced techniques for constrained internal coordinate molecular dynamics. J Comput Chem. 2013 Apr 30; 34(11):904-14. PMID: 23345138; PMCID: PMC3835462.
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