Journal of Molecular Graphics

Snarey M, N K Terrett, P Willett and D J Wilton 1997. Comparison of Algorithms for Dissimilaritj based Compound Selection. Journal of Molecular Graphics and Modelling 15 372-385. [Pg.741]

Sjoberg, P., J. S. Murray, T. Brinck, P. Evans, and P. Politzer. 1990. The Use of the Electrostatic Potential at the Molecular Surface in Recognition Interactions Dibenzo-p-dioxins and Related Systems. Journal of Molecular Graphics 8, 81. [Pg.83]

MacDougall, I.J. and Griffith, R. (2006) Selective pharmacophore design for alphal-adrenoceptor subtypes. Journal of Molecular Graphics el Modelling, 25, 146-157. [Pg.192]

I. and Andricopulo, A.D. (2007) 3D QSAR comparative molecular field analysis on nonsteroidal farnesoid X receptor activators. Journal of Molecular Graphics Modelling, 25, 921-927. [Pg.336]

Vadivelan, S., Sinha, B.N., Rambabu, G., Boppana, K. and Jagarlapudi, S. (2008) Pharmacophore modeling and virtual screening studies to design some potential histone deacetylase inhibitors as new leads. Journal of Molecular Graphics ei Modelling, 26, 935—946. [Pg.83]

Chen, Y, Jiang, Y.J., Zhou, J.W., Yu, Q.S. and You, Q.D. (2008) Identification of ligand features essential for HDACs inhibitors by pharmacophore modeling. Journal of Molecular Graphics ei Modelling 25, 1160-1168. [Pg.83]

Weaver, S. and Gleeson, M.P. (2008) The importance of the domain of applicability in QSAR modeling. Journal of Molecular Graphics e[ Modelling 26, 1315. [Pg.41]

Martin, E.J., Hoeffel, T. J. Oriented substituent pharmacophore PRopErtY space (OSPPREYS) a substituent-based calculation that describes combinatorial library products better than the corresponding product-based calculation. Journal of Molecular Graphics and Modelling 2000, 18, 383-403. [Pg.115]

As always, we try to be heedful of the needs of our readers and authors. Every effort is made to produce volumes that will have sustained usefulness in learning, teaching, and research. We appreciate the fact that the community of computational chemists has found that these volumes fulfill a need. In the most recent data on impact factors from the Institute of Scientific Information (Philadelphia, Pennsylvania), Reviews in Computational Chemistry is ranked fourth among serials (journals and books) in the field of computational chemistry. (In first place is the Journal of Molecular Graphics and Modelling, followed by the Journal of Computational Chemistry and Theoretical Chemistry Accounts. In fifth and sixth places are the Journal of Computer-Aided Molecular Design and the Journal of Chemical Information and Computer Science, respectively.)... [Pg.414]

J. S. Mason and B. R. Beno, Journal of molecular graphics modelling,... [Pg.289]

Journal of Computational Chemistry (3.592) Journal of the American Chemical Society (5.298) Journal of Physical Chemistry (3.452) Biochemistry (5.196) Journal of Medicinal Chemistry (3.803) Journal of Molecular Biology (5.253) Proteins (6.775) Biopolymers (2.221) Protein Science (a) Journal of Molecular Graphics (1.433) Macromolecules (2.851) Journal of Computer-Aided Molecular Design (3.338) Proc. National Academy of Sciences USA (10.480) Journal of Chemical Physics (3.433) Protein Engineering (3.392) Journal of Chem. Inf. Computer Sciences (1.982) Journal of Biomolecular Struct. Dynamics (1.788) Biophysics Journal (4.945) THEOCHEM (0.951)... [Pg.322]

For many years the focus of a large number of theoretical chemists was on the development of better computational methods and approximations. There was a small, but growing number of chemists who were interested in applying these methods to practical questions of concern to experimentalists. Computational chemistry has now achieved de facto recognition as a discipline through formation of the Division of Computers in Chemistry of the American Chemical Society and through the publications of Journal of Computational Chemistry, Journal of Molecular Structure, Computers and Chemistry, and Journal of Molecular Graphics. [Pg.403]

Oprea, T.I. and Gottfries, J. (1999) Toward minimalistic modeling of oral drug absorption. Journal of Molecular Graphics Modelling, 17 (5-6), 261-274, 329. [Pg.488]

M. Stahl and H. J. Bohm. Development of filter functions for protein-ligand docking. Journal of Molecular Graphics and Modelling, 16 121-132, 1998. [Pg.372]

Windshugel, B., Jyrkkarinne, J., Vanamo, J., Poso, A., Honkakoski, P. and Sippl, W. (2007) Comparison of homology models and X-ray structures of the nuclear receptor CAR assessing the structural basis of constitutive activity Journal of Molecular Graphics ej Modelling, 25, 644-657. [Pg.461]

P.A., Suto, M.J., and Grootenhuis, P.D. (2004) Design of a gene family screening library targeting G-protein coupled receptors. Journal of Molecular Graphics and Modelling, 23, 15-21. [Pg.33]

Taminau, J., Thijs, G., and De Winter, H. (2008) Pharao pharmacophore alignment and optimization. Journal of Molecular Graphics and Modelling, 27, 161-169. [Pg.145]

Zsoldos, Z., Reid, D.. Simon, A., Sadjad, S.B., and Johnson, A.P. (2007) eHiTS a new fast, exhaustive flexible ligand docking system. Journal of Molecular Graphics b[ Modelling, 26, 198-212. [Pg.170]

D.A., Leach, A.R., and Good, A.C. (2003) Analysis and optimization of structure-based virtual screening protocols (3). New methods and old problems in scoring function design. Journal of Molecular Graphics S, Modelling, 22, 41-53. [Pg.217]

T., and Waldman, M. (2003) LigandFit a novel method for shape-directed rapid docking of ligands to protein active sites. Journal of Molecular Graphics e[ Modelling, 21, 289-307. [Pg.353]

Schuyler, A.D., Chirikjian, G.S. Normal mode analysis of proteins a comparison of rigid cluster modes with Cq. coarse graining. Journal of Molecular Graphics and Modelling 2004, 22,183. [Pg.37]

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