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Journal Articles
- 2017
[j10]Sreya Mukherjee, Aleksandra Karolak
, Marjolaine Debant, Paul Buscaglia, Yves Renaudineau, Olivier Mignen, Wayne C. Guida, Wesley H. Brooks:
Molecular Dynamics Simulations of Membrane-Bound STIM1 to Investigate Conformational Changes during STIM1 Activation upon Calcium Release. J. Chem. Inf. Model. 57(2): 335-344 (2017)- 2013
- [j9]Divya Ramamoorthy, Edward Turos, Wayne C. Guida:
Identification of a New Binding Site in E. coli FabH using Molecular Dynamics Simulations: Validation by Computational Alanine Mutagenesis and Docking Studies. J. Chem. Inf. Model. 53(5): 1138-1156 (2013) - 2012
- [j8]Daniel N. Santiago, Yuri Pevzner, Ashley A. Durand, Minh Phuong Tran, Rachel R. Scheerer, Kenyon G. Daniel, Shen-Shu Sung, H. Lee Woodcock III, Wayne C. Guida, Wesley H. Brooks:
Virtual Target Screening: Validation Using Kinase Inhibitors. J. Chem. Inf. Model. 52(8): 2192-2203 (2012) - 2008
- [j7]Wesley H. Brooks, Kenyon G. Daniel, Shen-Shu Sung, Wayne C. Guida:
Computational Validation of the Importance of Absolute Stereochemistry in Virtual Screening. J. Chem. Inf. Model. 48(3): 639-645 (2008) - 2007
- [j6]Wesley H. Brooks, Diane E. McCloskey, Kenyon G. Daniel, Steven E. Ealick, John A. Secrist III, William R. Waud, Anthony E. Pegg, Wayne C. Guida:
In Silico Chemical Library Screening and Experimental Validation of a Novel 9-Aminoacridine Based Lead-Inhibitor of Human S-Adenosylmethionine Decarboxylase. J. Chem. Inf. Model. 47(5): 1897-1905 (2007) - 2005
- [j5]Wayne C. Guida, Andrew D. Hamilton, Justin W. Crotty, Saïd M. Sebti:
Protein farnesyltransferase: Flexible docking studies on inhibitors using computational modeling. J. Comput. Aided Mol. Des. 19(12): 871-885 (2005) - 1999
- [j4]Douglas J. Raber, Wayne C. Guida:
Guidelines for publication of research results from force-field calculations. J. Comput. Chem. 20(14): 1591-1592 (1999) - [j3]István Kolossváry, Wayne C. Guida:
Low-mode conformational search elucidated: Application to C39H80 and flexible docking of 9-deazaguanine inhibitors into PNP. J. Comput. Chem. 20(15): 1671-1684 (1999) - 1993
- [j2]István Kolossváry, Wayne C. Guida:
Torsional flexing: Conformational searching of cyclic molecules in biased internal coordinate space. J. Comput. Chem. 14(6): 691-698 (1993) - 1992
- [j1]István Kolossváry, Wayne C. Guida:
Compare Conformer: a program for the rapid comparison of molecular conformers based on interatomic distances and torsion angles. J. Chem. Inf. Comput. Sci. 32(3): 191-199 (1992)
Coauthor Index
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