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Journal of Computer-Aided Molecular Design|August 4, 2004
Solvent effect on the synthesis of clarithromycin: a molecular dynamics studyDilek Duran, Viktorya Aviyente, Canan BaysaJournal of Computer-Aided Molecular Design|June 1, 1992
The sequence homologies of cytochromes P-450 and active-site geometriesD F Lewis, H MoereelsJournal of Computer-Aided Molecular Design|June 1, 1992
PLS modelling of structure-activity relationships of catechol O-methyltransferase inhibitorsT Lotta, J Taskinen, R Bäckström, et al.Journal of Computer-Aided Molecular Design|June 1, 1992
Conformational studies on (+)-anatoxin-a and derivativesP E Thompson, D T Manallack, F E Blaney, et al.Journal of Computer-Aided Molecular Design|September 18, 2022
Predicting octanol/water partition coefficients and pKa for the SAMPL7 challenge using the SM12, SM8 and SMD solvation modelsSergio A Rodriguez, Jasmine Vy Tran, Spencer J Sabatino, et al.Journal of Computer-Aided Molecular Design|January 21, 2022
Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challengeSolmaz Azimi, Joe Z Wu, Sheenam Khuttan, et al.Journal of Computer-Aided Molecular Design|January 21, 2022
Turbo prediction: a new approach for bioactivity predictionAmmar Abdo, Maude PupinJournal of Computer-Aided Molecular Design|January 21, 2022
Contact networks in RNA: a structural bioinformatics study with a new toolParthajit Roy, Dhananjay BhattacharyyaJournal of Computer-Aided Molecular Design|November 26, 2021
Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse dockingSergio R Ribone, S Alexis Paz, Cameron F Abrams, et al.Journal of Computer-Aided Molecular Design|November 20, 2021
Fine tuning for success in structure-based virtual screeningEmilie Pihan, Martin Kotev, Obdulia Rabal, et al.Pageof 265