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Browsing by Author Bliznyuk, Andrei

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Showing results 1 to 17 of 17

Application of semiempirical quantum chemical methods as a scoring function in docking.

Author(s)Vasilyev, Vladislav; Bliznyuk, Andrei
TypeJournal article
Date Published2004
Date Created-

Charge transfer effects in the GroEL-GroES chaperonin tetramer in solution

Author(s)Anisimov, Victor M; Bliznyuk, Andrei
TypeJournal article
Date Published2012
Date Created-

Combining docking and molecular dynamic simulations in drug design

Author(s)Alonso, Hernan; Bliznyuk, Andrei; Gready, Jill
TypeJournal article
Date Published2006
Date Created-

Comparison of electrostatic potential around proteins calculated from Amber and AM1 charges: application to mutants of prion protein

Author(s)Zuegg, Johannes; Bliznyuk, Andrei; Gready, Jill
TypeJournal article
Date Published2003
Date Created-

Comparison of linear-scaling semiempirical methods and combined quantum mechanical / molecular mechanical methods applied to enzyme reactions

Author(s)Titmuss, Stephen; Cummins, Peter; Bliznyuk, Andrei, et al
TypeJournal article
Date Published2000
Date Created-

Comparison of Linear-Scaling Semiempirical Methods and Combined Quantum Mechanical/Molecular Mechanical Methods for Enzymic Reactions. II. An Energy Decomposition Analysis.

Author(s)Titmuss, Stephen; Cummins, Peter; Rendell, Alistair, et al
TypeJournal article
Date Published2002
Date Created-
02_Cummins_Comparison_of_semiempirical_2002.pdf.jpg

Comparison of semiempirical and ab initio QM decomposition analyses for the interaction energy between molecules

Author(s)Cummins, Peter; Titmuss, Stephen; Jayatilaka, Dylan, et al
TypeJournal article
Date Published2002
Date Created-

Computational chemistry on Fujitsu vector-parallel processors: Development and performance of applications software

Author(s)Rendell, Alistair; Bliznyuk, Andrei; Nobes, Ross H, et al
TypeJournal article
Date Published2000
Date Created-

Electronic effects in biomolecular simulations: Investigation of the KcsA potassium ion channel.

Author(s)Bliznyuk, Andrei; Rendell, Alistair
TypeJournal article
Date Published2004
Date Created-

Faster Semiempirical Gradients

Author(s)Bliznyuk, Andrei; Rendell, Alistair
TypeJournal article
Date Published1999
Date Created-

Multiple ligand-binding modes in bacterial R67 dihydrofolate reductase

Author(s)Alonso, Hernan; Gillies, Malcolm; Cummins, Peter, et al
TypeJournal article
Date Published2005
Date Created-

Performance of MOPAC on parallel computers

Author(s)Fruchtl, Herbert A; Nobes, Ross H; Bliznyuk, Andrei
TypeJournal article
Date Published2000
Date Created-

Simple Method for Locating Possible Ligand Binding Sites on Protein Surfaces

Author(s)Bliznyuk, Andrei; Gready, Jill
TypeJournal article
Date Published1999
Date Created-

Solvent simulation

Author(s)Cummins, Peter; Bliznyuk, Andrei; Gready, Jill
TypeBook chapter
Date Published2004
Date Created-

The potassium channel: Structure, Selectivity and diffusion

Author(s)Allen, Toby; Bliznyuk, Andrei; Rendell, Alistair, et al
TypeJournal article
Date Published2000
Date Created-

The Potassium Ion Channel: Comparison of Linear Scaling Semiempirical and Molecular Mechanics Representations of the Electrostatic Potential

Author(s)Bliznyuk, Andrei; Rendell, Alistair; Allen, Toby, et al
TypeJournal article
Date Published2001
Date Created-
01_Hilder_Validity_of_current_force_2010.pdf.jpg

Validity of current force fields for simulations on boron nitride nanotubes

Author(s)Hilder, Tamsyn; Yang, Rui; Ganesh (Venkateshwara), V (Ganesh), et al
TypeJournal article
Date Published2010
Date Created-
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