Journal of Computer-Aided Molecular Design

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Polygalic acid inhibits african swine fever virus polymerase activity: findings from machine learning and in vitro testing
Journal of Computer-Aided Molecular Design - Tập 37 - Trang 453-461 - 2023
Jiwon Choi, Hyundo Lee, Soyoung Cho, Yorim Choi, Thuy X. Pham, Trang T. X. Huynh, Yun-Sook Lim, Soon B. Hwang
Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors
Journal of Computer-Aided Molecular Design - Tập 15 - Trang 395-410 - 2001
Wolfgang Sippl, Jean-Marie Contreras, Isabelle Parrot, Yveline M. Rival, Camille G. Wermuth
The need for scientific software engineering in the pharmaceutical industry
Journal of Computer-Aided Molecular Design - Tập 31 - Trang 301-304 - 2016
Brock Luty, Peter W. Rose
2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitors
Journal of Computer-Aided Molecular Design - Tập 22 - Trang 831-841 - 2008
Joseph Rebehmed, Florent Barbault, Cátia Teixeira, François Maurel
Computational approaches for predicting mutant protein stability
Journal of Computer-Aided Molecular Design - Tập 30 - Trang 401-412 - 2016
Shweta Kulshreshtha, Vigi Chaudhary, Girish K. Goswami, Nidhi Mathur
Solution conformation by NMR and molecular modeling of three sulfide-free somatostatin octapeptide analogs compared to angiopeptin
Journal of Computer-Aided Molecular Design - Tập 10 - Trang 83-86 - 1996
Philippe Hennig, Eric Raimbaud, Christophe Thurieau, Jean-Paul Volland, André Michel, Jean-Luc Fauchère
Charge-transfer interactions in the inhibition of MAO-A by phenylisopropylamines – a QSAR study
Journal of Computer-Aided Molecular Design - Tập 16 - Trang 95-103 - 2002
Gabriel Vallejos, Marcos Caroli Rezende, Bruce K. Cassels
A Monte Carlo pharmacophore generation procedure: Application to the human PAF receptor
Journal of Computer-Aided Molecular Design - Tập 7 - Trang 515-534 - 1993
Edward E. Hodgkin, Andrew Miller, Mark Whittaker
In silico rationalization of the structural and physicochemical requirements for photobiological activity in angelicine derivatives and their heteroanalogues
Journal of Computer-Aided Molecular Design - Tập 17 - Trang 53-64 - 2003
Fabrizio Giordanetto, Paola Fossa, Giulia Menozzi, Luisa Mosti
A collaborative environment for developing and validating predictive tools for protein biophysical characteristics
Journal of Computer-Aided Molecular Design - - 2012
Michael A. Johnston, Damien Farrell, Jens Erik Nielsen
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