Wayne C. Guida

发表

Virtual Target Screening: Validation Using Kinase Inhibitors

Yuri Pevzner, H. Lee Woodcock, Daniel N. Santiago, 2012, J. Chem. Inf. Model..

Faculty Opinions recommendation of A novel method to simulate the hydrophobic effect and its application to the ranking of host/guest complexes.

Wayne C. Guida, 2007 .

Computational Validation of the Importance of Absolute Stereochemistry in Virtual Screening

Kenyon G. Daniel, Shen-Shu Sung, Wayne C. Guida, 2008, J. Chem. Inf. Model..

Targeting bioactive chemical space with a small natural products library: Expanding diversity and predictability

Daniel N. Santiago, Wayne C. Guida, Jl von Salm, 2015 .

Low-mode conformational search elucidated: Application to C39H80 and flexible docking of 9-deazaguanine inhibitors into PNP

István Kolossváry, Wayne C. Guida, W. Guida, 1999, J. Comput. Chem..

Compare Conformer: a program for the rapid comparison of molecular conformers based on interatomic distances and torsion angles

István Kolossváry, Wayne C. Guida, 1992, J. Chem. Inf. Comput. Sci..

Low‐mode conformational search elucidated: Application to C39H80 and flexible docking of 9‐deazaguanine inhibitors into PNP

István Kolossváry, Wayne C. Guida, W. Guida, 1999 .

Software for structure-based drug design

Wayne C. Guida, W. Guida, 1994 .

Guidelines for publication of research results from force-field calculations

Wayne C. Guida, Douglas J. Raber, 1999, J. Comput. Chem..

Torsional flexing: Conformational searching of cyclic molecules in biased internal coordinate space

István Kolossváry, Wayne C. Guida, W. Guida, 1993, J. Comput. Chem..

Molecular Dynamics Simulations of Membrane-Bound STIM1 to Investigate Conformational Changes during STIM1 Activation upon Calcium Release

Aleksandra Karolak, Wayne C. Guida, Wesley H. Brooks, 2017, J. Chem. Inf. Model..

In Silico Chemical Library Screening and Experimental Validation of a Novel 9-Aminoacridine Based Lead-Inhibitor of Human S-Adenosylmethionine Decarboxylase

Kenyon G. Daniel, Wayne C. Guida, Wesley H. Brooks, 2007, J. Chem. Inf. Model..

Faculty Opinions recommendation of "In situ cross-docking" to simultaneously address multiple targets.

Wayne C. Guida, 2005 .

Identification of a New Binding Site in E. coli FabH using Molecular Dynamics Simulations: Validation by Computational Alanine Mutagenesis and Docking Studies

Wayne C. Guida, Divya Ramamoorthy, Edward Turos, 2013, J. Chem. Inf. Model..

Protein farnesyltransferase: Flexible docking studies on inhibitors using computational modeling

Andrew D. Hamilton, Wayne C. Guida, Justin W. Crotty, 2006, J. Comput. Aided Mol. Des..

Guidelines for publication of research results from force‐field calculations

Wayne C. Guida, Douglas J. Raber, 1999 .

Computational Chemistry Tools

Kenyon G. Daniel, Wayne C. Guida, Wesley H. Brooks, 2021 .

Low Mode Search . An Efficient , Automated Computational Method for Conformational Analysis : Application to Cyclic and Acyclic Alkanes and Cyclic Peptides

István Kolossváry, Wayne C. Guida, W. Guida, 1997 .

Comprehensive Conformational Analysis of the Four- to Twelve-Membered Ring Cycloalkanes: Identification of the Complete Set of Interconversion Pathways on the MM2 Potential Energy Hypersurface.

István Kolossváry, Wayne C. Guida, 1993 .

The Art and Practice of Structure‐Based Drug Design: A Molecular Modeling Perspective

Wayne C. Guida, Regine Bohacek, Colin McMartin, 1996 .

On searching the conformational space of cyclic molecules. Conformational interconversion pathways in trans-cyclosilkenes

István Kolossváry, Wayne C. Guida, W. Guida, 1994 .

Comprehensive conformational analysis of the four- to twelve-membered ring cycloalkanes: identification of the complete set of interconversion pathways on the MM2 potential energy hypersurface

István Kolossváry, Wayne C. Guida, W. Guida, 1993 .

Conformations of cycloheptadecane. A comparison of methods for conformational searching

Martin Saunders, Yun-Dong Wu, Mark A. Lipton, 1990 .

Conformations of cycloheptadecane. A comparison of methods for conformational searching

Martin Saunders, Yun-Dong Wu, W. Clark Still, 1990 .