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Journal of Computer-Aided Molecular Design|September 11, 2008
An improved method to predict the entropy term with the MM/PBSA approachJacob Kongsted, Ulf RydeJournal of Computer-Aided Molecular Design|September 10, 2008
Optimizing Dvl PDZ domain inhibitor by exploring chemical spaceJufang Shan, Jie J ZhengJournal of Computer-Aided Molecular Design|September 10, 2008
Structure-based CoMFA and CoMSIA study of indolinone inhibitors of PDK1Kirandeep Kaur, Tanaji T TaleleJournal of Computer-Aided Molecular Design|September 9, 2008
What induces pocket openings on protein surface patches involved in protein-protein interactions?Susanne Eyrisch, Volkhard HelmsJournal of Computer-Aided Molecular Design|September 9, 2008
An improved adaptive genetic algorithm for protein-ligand dockingLing Kang, Honglin Li, Hualiang Jiang, et al.Journal of Computer-Aided Molecular Design|May 26, 2010
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensembleAustin B Yongye, Andreas Bender, Karina Martínez-MayorgaJournal of Computer-Aided Molecular Design|May 11, 2010
Successful identification of key chemical structure modifications that lead to improved ADME profilesLourdes Cucurull-SanchezJournal of Computer-Aided Molecular Design|May 11, 2010
The SAMPL2 blind prediction challenge: introduction and overviewMatthew T Geballe, A Geoffrey Skillman, Anthony Nicholls, et al.Journal of Computer-Aided Molecular Design|May 22, 2009
Closing the side-chain gap in protein loop modelingKaren A Rossi, Akbar Nayeem, Carolyn A Weigelt, et al.Journal of Computer-Aided Molecular Design|May 30, 2009
Empirical estimation of the energetic contribution of individual interface residues in structures of protein-protein complexesMainak Guharoy, Pinak ChakrabartiPageof 265