Jerzy Leszczynski to Binding Sites
This is a "connection" page, showing publications Jerzy Leszczynski has written about Binding Sites.
Connection Strength
0.921
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Turabekova M, Rasulev B, Theodore M, Jackman J, Leszczynska D, Leszczynski J. Immunotoxicity of nanoparticles: a computational study suggests that CNTs and C60 fullerenes might be recognized as pathogens by Toll-like receptors. Nanoscale. 2014 Apr 07; 6(7):3488-95.
Score: 0.108
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Lv W, Chen Y, Li D, Chen X, Leszczynski J. Methyl-triclosan binding to human serum albumin: multi-spectroscopic study and visualized molecular simulation. Chemosphere. 2013 Oct; 93(6):1125-30.
Score: 0.103
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Ford-Green J, Isayev O, Gorb L, Perkins EJ, Leszczynski J. Evaluation of natural and nitramine binding energies to 3-D models of the S1S2 domains in the N-methyl-D-aspartate receptor. J Mol Model. 2012 Apr; 18(4):1273-84.
Score: 0.090
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Turabekova MA, Rasulev BF, Dzhakhangirov FN, Leszczynska D, Leszczynski J. Aconitum and Delphinium alkaloids of curare-like activity. QSAR analysis and molecular docking of alkaloids into AChBP. Eur J Med Chem. 2010 Sep; 45(9):3885-94.
Score: 0.083
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Toropov AA, Toropova AP, Benfenati E, Leszczynska D, Leszczynski J. SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations. J Comput Chem. 2010 Jan 30; 31(2):381-92.
Score: 0.081
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Dyguda-Kazimierowicz E, Sokalski WA, Leszczynski J. Non-empirical study of the phosphorylation reaction catalyzed by 4-methyl-5-beta-hydroxyethylthiazole kinase: relevance of the theory of intermolecular interactions. J Mol Model. 2007 Jul; 13(6-7):839-49.
Score: 0.067
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Gu J, Wang J, Leszczynski J. Molecular basis of the recognition process: hydrogen-bonding patterns in the guanine primary recognition site of ribonuclease T1. J Phys Chem B. 2006 Jul 13; 110(27):13590-6.
Score: 0.063
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Zi?lkowski M, Grabowski SJ, Leszczynski J. Cooperativity in hydrogen-bonded interactions: ab initio and "atoms in molecules" analyses. J Phys Chem A. 2006 May 25; 110(20):6514-21.
Score: 0.063
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Wang J, Gu J, Leszczynski J. Phosphonylation mechanisms of sarin and acetylcholinesterase: a model DFT study. J Phys Chem B. 2006 Apr 13; 110(14):7567-73.
Score: 0.062
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Forde GK, Kedzierski P, Sokalski WA, Forde AE, Hill GA, Leszczynski J. Physical nature of interactions within the active site of cytosine-5-methyltransferase. J Phys Chem A. 2006 Feb 16; 110(6):2308-13.
Score: 0.062
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Dyguda E, Grembecka J, Sokalski WA, Leszczynski J. Origins of the activity of PAL and LAP enzyme inhibitors: toward ab initio binding affinity prediction. J Am Chem Soc. 2005 Feb 16; 127(6):1658-9.
Score: 0.058
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C P A, Subhramanian S, Sizochenko N, Melge AR, Leszczynski J, Mohan CG. Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition. J Biomol Struct Dyn. 2019 Apr; 37(6):1582-1596.
Score: 0.036
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Campbell PE, Isayev O, Ali SA, Roth WW, Huang MB, Powell MD, Leszczynski J, Bond VC. Validation of a novel secretion modification region (SMR) of HIV-1 Nef using cohort sequence analysis and molecular modeling. J Mol Model. 2012 Oct; 18(10):4603-13.
Score: 0.024
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Sponer JE, V?zquez-Mayagoitia A, Sumpter BG, Leszczynski J, Sponer J, Otyepka M, Ban?s P, Fuentes-Cabrera M. Theoretical studies on the intermolecular interactions of potentially primordial base-pair analogues. Chemistry. 2010 Mar 08; 16(10):3057-65.
Score: 0.020