Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles JL Tomasz Puzyn, Bakhtiyor Rasulev, Agnieszka Gajewicz, Xiaoke Hu, Thabitha ... Nature Nanotechnology 6 (3), 175-178, 2011 | 735 | 2011 |
Nature of nucleic acid− base stacking: nonempirical ab initio and empirical potential characterization of 10 stacked base dimers. Comparison of stacked and H-bonded base pairs J Šponer, J Leszczyński, P Hobza The Journal of Physical Chemistry 100 (13), 5590-5596, 1996 | 490 | 1996 |
Structures and energies of hydrogen-bonded DNA base pairs. A nonempirical study with inclusion of electron correlation J Šponer, J Leszczynski, P Hobza The Journal of Physical Chemistry 100 (5), 1965-1974, 1996 | 482 | 1996 |
Cooperativity in hydrogen-bonded interactions: ab initio and “atoms in molecules” analyses M Ziółkowski, SJ Grabowski, J Leszczynski The Journal of Physical Chemistry A 110 (20), 6514-6521, 2006 | 348 | 2006 |
Spontaneous DNA Mutations Induced by Proton Transfer in the Guanine⊙ Cytosine Base Pairs: An Energetic Perspective J Florian, J Leszczyński Journal of the American Chemical Society 118 (12), 3010-3017, 1996 | 322 | 1996 |
Intramolecular proton transfer in mono-and dihydrated tautomers of guanine: an ab initio post Hartree− Fock study L Gorb, J Leszczynski Journal of the American Chemical Society 120 (20), 5024-5032, 1998 | 312 | 1998 |
Non-linear optical properties of matter MG Papadopoulos, AJ Sadlej, J Leszczynski Springer, 2006 | 309 | 2006 |
Properties of the C− H⊙⊙⊙ H dihydrogen bond: an ab initio and topological analysis P Lipkowski, SJ Grabowski, TL Robinson, J Leszczynski The Journal of Physical Chemistry A 108 (49), 10865-10872, 2004 | 294 | 2004 |
Hydrogen bonding and stacking of DNA bases: a review of quantum-chemical ab initio studies PH J. Sponer, J. Leszczynski Journal of Biomolecular Structure and Dynamics 14 (1), 117-135, 1996 | 292 | 1996 |
Toward the development of “nano‐QSARs”: advances and challenges T Puzyn, D Leszczynska, J Leszczynski Small 5 (22), 2494-2509, 2009 | 265 | 2009 |
Advancing risk assessment of engineered nanomaterials: application of computational approaches A Gajewicz, B Rasulev, TC Dinadayalane, P Urbaszek, T Puzyn, ... Advanced drug delivery reviews 64 (15), 1663-1693, 2012 | 258 | 2012 |
Interaction of DNA Base Pairs with Various Metal Cations (Mg2+, Ca2+, Sr2+, Ba2+, Cu+, Ag+, Au+, Zn2+, Cd2+, and Hg2+): Nonempirical ab Initio … JV Burda, J Šponer, J Leszczynski, P Hobza The Journal of Physical Chemistry B 101 (46), 9670-9677, 1997 | 257 | 1997 |
Quantitative classification of covalent and noncovalent H-bonds SJ Grabowski, WA Sokalski, E Dyguda, J Leszczyński The Journal of Physical Chemistry B 110 (13), 6444-6446, 2006 | 250 | 2006 |
Double-proton transfer in adenine− thymine and guanine− cytosine base pairs. A post-hartree− fock ab initio study L Gorb, Y Podolyan, P Dziekonski, WA Sokalski, J Leszczynski Journal of the American Chemical Society 126 (32), 10119-10129, 2004 | 243 | 2004 |
Recent advances in QSAR studies: methods and applications T Puzyn, J Leszczynski, MT Cronin Springer Science & Business Media, 2010 | 236 | 2010 |
Base-base and deoxyribose-base stacking interactions in B-DNA and Z-DNA: a quantum-chemical study J Sponer, HA Gabb, J Leszczynski, P Hobza Biophysical journal 73 (1), 76-87, 1997 | 232 | 1997 |
Molecular Structure and Infrared Spectra of Adenine. Experimental Matrix Isolation and Density Functional Theory Study of Adenine 15N Isotopomers MJ Nowak, L Lapinski, JS Kwiatkowski, J Leszczyński The Journal of Physical Chemistry 100 (9), 3527-3534, 1996 | 230 | 1996 |
Mineral–organic interfacial processes: potential roles in the origins of life HJ Cleaves II, AM Scott, FC Hill, J Leszczynski, N Sahai, R Hazen Chemical Society Reviews 41 (16), 5502-5525, 2012 | 220 | 2012 |
Interaction between the guanine− cytosine watson− crick DNA base pair and hydrated Group IIa (Mg2+, Ca2+, Sr2+, Ba2+) and Group IIb (Zn2+, Cd2+, Hg2+) metal cations J Šponer, JV Burda, M Sabat, J Leszczynski, P Hobza The Journal of Physical Chemistry A 102 (29), 5951-5957, 1998 | 211 | 1998 |
Interactions of electrons with bare and hydrated biomolecules: From nucleic acid bases to DNA segments J Gu, J Leszczynski, HF Schaefer III Chemical reviews 112 (11), 5603-5640, 2012 | 205 | 2012 |