I. Shamovsky

发表

An Ab initio study of the structure and energetics of HONF2 and .ONF2

I. Yarovsky, I. Shamovsky, Yu. M. Gershenzon, 1993 .

Influence of fatty acid composition on the structure and stability of fatty acid complexes with vitamin E

E. Burlakova, I. Shamovsky, I. Yarovskaya, 1992 .

Comparison of global-minimum-energy conformations of phospholipids

I. Shamovsky, I. Yarovskaya, 1991 .

Fragment-Based Discovery of Novel Allosteric MEK1 Binders.

R. Lewis, U. Börjesson, Magnus Nilsson, 2021, ACS medicinal chemistry letters.

Increasing selectivity of CC chemokine receptor 8 antagonists by engineering nondesolvation related interactions with the intended and off-target binding sites.

Didier Rognan, Chris de Graaf, Steve Price, 2009, Journal of medicinal chemistry.

The binding of zinc and copper ions to nerve growth factor is differentially affected by pH: implications for cerebral acidosis

R. Riopelle, K. Neet, S. Dostaler, 2001, Journal of neurochemistry.

Nerve Growth Factor and Related Neurotrophins

R. Riopelle, I. Shamovsky, G. Ross, 2002 .

The Structure of the Ferromagnetic Phase of Carbon

A. Ovchinnikov, I. Shamovsky, 1991 .

Structural basis of steroid compounds interaction with "digitalis"-receptor sites of Na,K-dependent ATPase.

I. Massova, A. Ovchinnikov, I. Shamovsky, 1989, Journal of steroid biochemistry.

Theoretical Studies on the Origin of β-sheet Twisting

R. Riopelle, I. Shamovsky, A. Ross, 2000 .

Correlation effects and lattice distortions in C60

V. Krivnov, A. Rosengren, I. Shamovsky, 1995 .

Identification and Optimization of Pyrrolidine Derivatives as Highly Potent Ghrelin Receptor Full Agonists.

R. Lewis, U. Andersson, U. Sivars, 2020, Journal of medicinal chemistry.

A “slow-cooling” Monte Carlo conformational space study of 18-crown-6 and its alkali metal cation complexes

L. Szentpály, I. Shamovsky, V. E. Zubkus, 1994 .

Differential effects of transition metal cations on the conformation and biological activities of nerve growth factor

R. Riopelle, Wei Wang, S. Dostaler, 2000, Neurotoxicity Research.

Zinc inhibits p75NTR-mediated apoptosis in chick neural retina

R. Riopelle, I. Shamovsky, G. Ross, 2001, Cell Death and Differentiation.

Theoretical and Biochemical Studies on the Selectivity of Nerve Growth Factor for Transition Metal Cations

R. Riopelle, D. Weaver, I. Shamovsky, 1999 .

Zinc alters conformation and inhibits biological activities of nerve growth factor and related neurotrophins

R. Riopelle, D. Weaver, S. Dostaler, 1997, Nature Medicine.

Discovery and Early Clinical Development of an Inhibitor of 5-Lipoxygenase Activating Protein (AZD5718) for Treatment of Coronary Artery Disease.

A. Plowright, J. Ulander, Malin Lemurell, 2019, Journal of medicinal chemistry.

Theoretical Studies of the Mechanism of Carbamoylation of Nucleobases by Isocyanates.

I. Shamovsky, L. Ripa, Magnus Liljenberg, 2020, Chemical research in toxicology.

The interaction of neurotrophins with the p75NTR common neurotrophin receptor: A comprehensive molecular modeling study

R. Riopelle, D. Weaver, I. Shamovsky, 2008, Protein science : a publication of the Protein Society.

The interaction of neurotrophins with the p75 NTR common neurotrophin receptor: A comprehensive molecular modeling study

R. Riopelle, I. Shamovsky, G. Ross, 1999 .

Reciprocal modulation of TrkA and p75NTR affinity states is mediated by direct receptor interactions

R. Riopelle, S. Dostaler, I. Shamovsky, 1998, The European journal of neuroscience.

Differential Activity of the Nerve Growth Factor (NGF) Antagonist PD90780 [7-(Benzolylamino)-4,9-dihydro-4-methyl-9-oxo-pyrazolo[5,1-b]quinazoline-2-carboxylic Acid] Suggests Altered NGF-p75NTR Interactions in the Presence of TrkA

R. Riopelle, I. Shamovsky, G. Ross, 2004, Journal of Pharmacology and Experimental Therapeutics.

Altered NGF-p 75 NTR Interactions in the Presence of TrkA

R. Riopelle, I. Shamovsky, G. Ross, 2004 .

Molecular Modeling of the Interaction of Neurotrophins with the P75 NTR Common Neurotrophin Receptor

R. Riopelle, D. Weaver, I. Shamovsky, 2002 .

Identification and Pharmacological Profile of an Indane Based Series of Ghrelin Receptor Full Agonists.

U. Andersson, U. Sivars, Cristina Gardelli, 2018, Journal of medicinal chemistry.

Correlation effects in fullerene molecule

V. Krivnov, I. Shamovsky, 1994 .

Theoretical studies of chemical reactivity of metabolically activated forms of aromatic amines toward DNA.

Christian Tyrchan, Niklas Blomberg, Leif A Eriksson, 2012, Chemical research in toxicology.

Explanation for main features of structure-genotoxicity relationships of aromatic amines by theoretical studies of their activation pathways in CYP1A2.

Catrin Hasselgren, Bo Nordén, Lena Börjesson, 2011, Journal of the American Chemical Society.

Mechanism-Based Insights into Removing the Mutagenicity of Aromatic Amines by Small Structural Alterations.

F. Narjes, C. Tyrchan, Stefan Schiesser, 2021, Journal of Medicinal Chemistry.

Overcoming undesirable HERG potency of chemokine receptor antagonists using baseline lipophilicity relationships.

Bo Nordén, Klaus Urbahns, B. Springthorpe, 2008, Journal of medicinal chemistry.

Computer simulation studies on β‐quinol clathrates with various gases. Interdependence of host and guest molecules

L. Szentpály, I. Shamovsky, E. E. Tornau, 1994 .

Computer‐simulation studies of β‐quinol clathrate with various gases. Molecular interactions and crystal structure

I. Shamovsky, E. E. Tornau, V. E. Zubkus, 1992 .

Molecular interactions, structure and stability of β-quinol clathrate

I. Shamovsky, V. E. Zubkus, 1992 .

Theoretical studies of the second step of the nitric oxide synthase reaction: Electron tunneling prevents uncoupling.

R. Lewis, F. Narjes, C. Tyrchan, 2018, Journal of inorganic biochemistry.

Theoretical studies of the mechanism of N-hydroxylation of primary aromatic amines by cytochrome P450 1A2: radicaloid or anionic?

I. Shamovsky, C. Mee, L. Ripa, 2014, Chemical research in toxicology.

Consistent point-charges at the 18-crown-6 atoms from correlated ab initio calculations

L. Szentpály, I. Shamovsky, 1994 .

Ab Initio Studies on the Mechanism of Tyrosine Coupling

I. Shamovsky, G. Ross, and Richard J. Riopelle, 2001 .

The discovery of a selective and potent A2a agonist with extended lung retention

A. Åstrand, A. Tunek, T. Drmota, 2015, Pharmacology research & perspectives.

Ab initio molecular orbital studies on a singlet-triplet splitting of C3H6 and C4H8 molecules

A. Ovchinnikov, I. Shamovsky, K. Bozhenko, 1991 .

Theoretical Studies on the Bioactive Conformation of Nerve Growth Factor Using VBMCA Novel Variable Basis Monte Carlo Simulated Annealing Algorithm for Peptides

R. Riopelle, D. Weaver, I. Shamovsky, 1996 .

Explanation for main features of structure-genotoxicity relationships of aromatic amines by theoretical studies of their activation pathways in CYP1A2.

B. Nordén, M. O’Donovan, C. Hasselgren, 2011, Journal of the American Chemical Society.