Browsing by Author Zain, S.M.

Showing results 1 to 16 of 16
Issue DateTitleAuthor(s)
1998A structural study of the interaction of dibenzyldiaza-18-crown-6 with neodymium(III) nitrate hexahydrateSaleh, M.I. ; Salhin, A. ; Saad, B. ; Zain, S.M. ; Rahman, N.A. ; Arifin, Z. 
2001An insight to the cleavage of β-carotene to vitamin A: A molecular mechanics studyMohamed, N. ; Hashim, R. ; Rahman, N.A. ; Zain, S.M. 
2010An ONIOM study on the enantioselective Diels-Alder reaction catalyzed by SiO2 - Immobilized chiral oxazaborolidinium cationOmar, N.Y.M. ; Rahman, N.A. ; Zain, S.M. 
2007An ontology-based reasoning framework for reaction mechanisms simulationTang, Y.C.A. ; Zain, S.M. ; Rahman, N.A. ; Abdullah, R. 
2009Deriving causal explanation from qualitative model reasoningTang, A.Y.C. ; Zain, S.M. ; Rahman, N.A. ; Abdullah, R. 
2011Design of new competitive dengue Ns2b/Ns3 protease inhibitors-a computational approachFrimayanti, N. ; Chee, C.F. ; Zain, S.M. ; Rahman, N.A. 
2010Discovering new competivive dengue DEN2 NS2B/NS3 inhibitors using similarity searchingFrimayanti, N. ; Zain, S.M. ; Rahman, N.A. 
2008Embedding explanation facility in chemistry educational software: Towards the Qualitative Reasoning approachTang, A.Y.C. ; Zain, S.M. ; Rahman, N.A. ; Abdullah, R. 
2011Fragment-based molecular design of new competitive Dengue Den2 Ns2b/Ns3 inhibitors from the components of fingerroot (Boesenbergia rotunda)Frimayanti, N. ; Zain, S.M. ; Lee, V.S. ; Wahab, H.A. ; Yusof, R. ; Rahman, N.A. 
2009Generating qualitative causal graph using modeling constructs of qualitative process theory for explaining organic chemistry reactionsTang, A.Y.C. ; Abdullah, R. ; Zain, S.M. ; Rahman, N.A. 
2014GPU accelerated molecular dynamics simulations for protein-protein interaction of ankyrin complexKodchakorn, K. ; Dokmaisrijan, S. ; Chong, W.L. ; Payaka, A. ; Wisitponchai, T. ; Nimmanpipug, P. ; Zain, S.M. ; Rahman, N.A. ; Tayapiwatana, C. ; Lee, V.S. 
2013Improved SCFV ANTI-HIV-1 P17 binding affinity guided from the theoretical calculation of pairwise decomposition energies and Computational Alanine ScanningTue-Ngeun, P. ; Kodchakorn, K. ; Nimmanpipug, P. ; Lawan, N. ; Nangola, S. ; Tayapiwatana, C. ; Rahman, N.A. ; Zain, S.M. ; Lee, V.S. 
2008Pheophorbide b ethyl ester from a chlorella vulgaris dietary supplementChee, C.F. ; Rahman, N.A. ; Zain, S.M. ; Ng, S.W. 
2016QSAR, in silico docking and in vitro evaluation of chalcone derivatives as potential inhibitors for H1N1 virus neuraminidaseYaeghoobi, M. ; Frimayanti, N. ; Chee, C.F. ; Ikram, K.K. ; Najjar, B.O. ; Zain, S.M. ; Abdullah, Z. ; Wahab, H.A. ; Rahman, N.A. 
2012Transition state study of cyclization step in peptide catalyzed flavanone synthesisLee, V.S. ; Lee, Y.K. ; Frimayanti, N. ; Zain, S.M. ; Wahab, H.A. ; Rahman, N.A. 
2011Validation of quantitative structure-activity relationship (QSAR) model for photosensitizer activity predictionFrimayanti, N. ; Yam, M.L. ; Lee, H.B. ; Othman, R. ; Zain, S.M. ; Rahman, N.A.