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Journal of Molecular Modeling|May 15, 2012
Fully relativistic rovibrational energies and spectroscopic constants of the lowest X:(1)0(+)g, A':(1)2( u ), A:(1)1 ( u ), B':(1)0(-)u and B:(1)0(+)u states of molecular chlorineDaniel F S Machado, Valter H C Silva, Cristiano S Esteves, et al.Journal of Molecular Modeling|May 15, 2012
Response surface methodology in docking study of small molecule BACE-1 inhibitorsNima Razzaghi-Asl, Ahmad Ebadi, Najmeh Edraki, et al.Journal of Molecular Modeling|April 25, 2012
The use of quantum-chemical descriptors for predicting the photoinduced toxicity of PAHsJabir H Al-FahemiJournal of Molecular Modeling|May 8, 2012
Fast learning optimized prediction methodology (FLOPRED) for protein secondary structure predictionS Saraswathi, J L Fernández-Martínez, A Kolinski, et al.Journal of Molecular Modeling|September 28, 2011
Investigating the electronic properties of silicon nanosheets by first-principles calculationsErnesto Chigo Anota, Alejandro Bautista Hernández, Miguel Castro, et al.Journal of Molecular Modeling|September 28, 2011
Molecular dynamics modeling of the sub-THz vibrational absorption of thioredoxin from E. coliNaser Alijabbari, Yikan Chen, Igor Sizov, et al.Journal of Molecular Modeling|December 31, 2011
Structural, electronic, and elastic properties of K-As compounds: a first principles studyHavva Bogaz Ozisik, Kemal Colakoglu, Engin Deligoz, et al.Journal of Molecular Modeling|November 26, 2011
Quantum mechanical studies of lincosamidesKatarzyna Kulczycka-Mierzejewska, Joanna Trylska, Joanna SadlejJournal of Molecular Modeling|November 15, 2011
An ONIOM investigation on anion recognition of alkali-metal complexes with diurea calix[4]arene receptorPornpan Chanapiwat, Vithaya RuangpornvisutiJournal of Molecular Modeling|December 1, 2011
Theoretical aspects of binary and ternary complexes of aziridine···ammonia ruled by hydrogen bond strengthBoaz G Oliveira, Regiane C M U AraújoPageof 694