Flexible effective fragment QM/MM method: Validation through the challenging tests
Nemukhin, A. V., Grigorenko, B. L., Topol, I. A., Burt, S. K.
Published in Journal of computational chemistry (01.09.2003)
Published in Journal of computational chemistry (01.09.2003)
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Journal Article
Erratum to: Peculiarities of Endoplasmic Reticulum Stress Regulator XBP1 Expression in the Gut-Associated Lymphoid Tissue of Wistar Rats under Chronic Stress
Topol, I. A., Polyakova, I. S., Elykova, A. V.
Published in Journal of evolutionary biochemistry and physiology (01.12.2022)
Published in Journal of evolutionary biochemistry and physiology (01.12.2022)
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Journal Article
Calculation of Absolute and Relative Acidities of Substituted Imidazoles in Aqueous Solvent
Topol, I. A, Tawa, G. J, Burt, S. K, Rashin, A. A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.12.1997)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.12.1997)
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Journal Article
Peculiarities of Endoplasmic Reticulum Stress Regulator XBP1 Expression in the Gut-Associated Lymphoid Tissue of Wistar Rats under Chronic Stress
Topol, I. A., Polyakova, I. S., Elykova, A. V., Kamyshny, A. M.
Published in Journal of evolutionary biochemistry and physiology (01.09.2022)
Published in Journal of evolutionary biochemistry and physiology (01.09.2022)
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Journal Article
Theoretical calculations of glycine and alanine gas-phase acidities
Topol, I.A., Burt, S.K., Russo, N., Toscano, M.
Published in Journal of the American Society for Mass Spectrometry (01.04.1999)
Published in Journal of the American Society for Mass Spectrometry (01.04.1999)
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Journal Article
Cyclopropane-Derived Peptidomimetics. Design, Synthesis, Evaluation, and Structure of Novel HIV-1 Protease Inhibitors
Martin, Stephen F, Dorsey, Gordon O, Gane, Todd, Hillier, Michael C, Kessler, Horst, Baur, Matthias, Mathä, Barbara, Erickson, John W, Bhat, T. Nagarajan, Munshi, Sanjeev, Gulnik, Sergei V, Topol, Igor A
Published in Journal of medicinal chemistry (07.05.1998)
Published in Journal of medicinal chemistry (07.05.1998)
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Journal Article
Charge distributions in water and ion–water clusters
Rashin, A.A., Topol, I.A., Tawa, G.J., Burt, S.K.
Published in Chemical physics letters (23.02.2001)
Published in Chemical physics letters (23.02.2001)
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Journal Article
All-Atom Models for the Non-Nucleoside Binding Site of HIV-1 Reverse Transcriptase Complexed with Inhibitors: A 3D QSAR Approach
Gussio, Rick, Pattabiraman, Nagarajan, Zaharevitz, Daniel W, Kellogg, Glen E, Topol, Igor A, Rice, William G, Schaeffer, Catherine A, Erickson, John W, Burt, Stanley K
Published in Journal of medicinal chemistry (12.04.1996)
Published in Journal of medicinal chemistry (12.04.1996)
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Journal Article
alpha- and 3(10)-helix interconversion: a quantum-chemical study on polyalanine systems in the gas phase and in aqueous solvent
Topol, I A, Burt, S K, Deretey, E, Tang, T H, Perczel, A, Rashin, A, Csizmadia, I G
Published in Journal of the American Chemical Society (27.06.2001)
Published in Journal of the American Chemical Society (27.06.2001)
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Journal Article
Modeling of serine protease prototype reactions with the flexible effective fragment potential quantum mechanical/molecular mechanical method
Nemukhin, A. V., Grigorenko, B. L., Rogov, A. V., Topol, I. A., Burt, S. K.
Published in Theoretical chemistry accounts (01.02.2004)
Published in Theoretical chemistry accounts (01.02.2004)
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Journal Article
Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine
Baldwin, Eric T, Bhat, T.Narayana, Gulnik, Sergei, Liu, Beishan, Topol, Igor A, Kiso, Yoshiaki, Mimoto, Tsutomu, Mitsuya, Hiroaki, Erickson, John W
Published in Structure (London) (15.06.1995)
Published in Structure (London) (15.06.1995)
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Journal Article
Experimental determination and calculations of redox potential descriptors of compounds directed against retroviral zinc fingers: Implications for rational drug design
Topol, Igor A., McGrath, Connor, Chertova, Elena, Dasenbrock, Catherine, Lacourse, William R., Eissenstat, Michael A., Burt, Stanley K., Henderson, Louis E., Casas‐Finet, José R.
Published in Protein science (01.07.2001)
Published in Protein science (01.07.2001)
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