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Journal of Computer-Aided Molecular Design|January 20, 2017
RNAHelix: computational modeling of nucleic acid structures with Watson-Crick and non-canonical base pairsDhananjay Bhattacharyya, Sukanya Halder, Sankar Basu, et al.Journal of Computer-Aided Molecular Design|December 1, 1990
Conformational analyses on histamine H2-receptor antagonistsH D Höltje, A BatzenschlagerJournal of Computer-Aided Molecular Design|October 5, 2016
On the fly estimation of host-guest binding free energies using the movable type method: participation in the SAMPL5 blind challengeNupur Bansal, Zheng Zheng, David S Cerutti, et al.Journal of Computer-Aided Molecular Design|October 4, 2016
Effects of point mutations on the thermostability of B. subtilis lipase: investigating nonadditivityBipin Singh, Gopalakrishnan Bulusu, Abhijit MitraJournal of Computer-Aided Molecular Design|September 29, 2016
Blinded predictions of distribution coefficients in the SAMPL5 challengeStefano Bosisio, Antonia S J S Mey, Julien MichelJournal of Computer-Aided Molecular Design|January 31, 2014
The SAMPL4 hydration challenge: evaluation of partial charge sets with explicit-water molecular dynamics simulationsHari S Muddana, Neil V Sapra, Andrew T Fenley, et al.Journal of Computer-Aided Molecular Design|March 14, 2008
On the importance of topological descriptors in understanding structure-property relationshipsDavid T StantonJournal of Computer-Aided Molecular Design|January 22, 2008
Quantitative measurement of protease ligand conformationChristopher J R Illingworth, Kevin E B Parkes, Christopher R Snell, et al.Journal of Computer-Aided Molecular Design|December 1, 1996
Reconstruction of the 3D coordinates of alpha-carbon atoms of proteins from a pair of stereographic figuresY Iwata, A Kasuya, S MiyamotoJournal of Computer-Aided Molecular Design|December 1, 1996
Three-dimensional hydrogen-bond geometry and probability information from a crystal surveyJ E Mills, P M DeanPageof 264