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Biopolymers|October 1, 1996
Energetic decomposition of the alpha-helix-coil equilibrium of a dynamic model systemL Wang, T O'Connell, A Tropsha, et al.Journal of Computational Biology : a Journal of Computational Molecular Cell Biology|January 1, 1996
Delaunay tessellation of proteins: four body nearest-neighbor propensities of amino acid residuesR K Singh, A Tropsha, I I VaismanProtein Science : a Publication of the Protein Society|February 1, 1994
Rational design of a three-heptad coiled-coil protein and comparison by molecular dynamics simulation with the GCN4 coiled coil: presence of interior three-center hydrogen bondsJ E Rozzelle, A Tropsha, B W EricksonJournal of Molecular Biology|September 20, 1996
Molecular simulations of beta-sheet twistingL Wang, T O'Connell, A Tropsha, et al.Chemical Society Reviews|January 16, 2023
Surely you are joking, Mr Docking!F Gentile, T I Oprea, A Tropsha, et al.Journal of Chemical Information and Computer Sciences|October 26, 1999
Automated pharmacophore identification for large chemical data setsX Chen, A Rusinko, A Tropsha, et al.Proceedings of the National Academy of Sciences of the United States of America|August 15, 1993
Free energies for refolding of the common beta turn into the inverse-common beta turn: simulation of the role of D/L chiralityY Yan, A Tropsha, J Hermans, et al.Proteins|August 18, 1999
The "random-coil" state of proteins: comparison of database statistics and molecular simulationsT M O'Connell, L Wang, A Tropsha, et al.Journal of Molecular Graphics & Modelling|July 14, 2001
Accurate prediction of the bound conformation of galanthamine in the active site of Torpedo californica acetylcholinesterase using molecular dockingC Pilger, C Bartolucci, D Lamba, et al.Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing|January 1, 1996
Statistical geometry analysis of proteins: implications for inverted structure predictionA Tropsha, R K Singh, I I Vaisman, et al.Pageof 18