Some remarks on the interpretation of the spectral properties of prodan A Balter, W Nowak, W Pawełkiewicz, A Kowalczyk Chemical physics letters 143 (6), 565-570, 1988 | 146 | 1988 |
Comparative Theoretical Study on Charge-Transfer Fluorescence Probes: 6-Propanoyl-2-(N,N-dimethylamino)naphthalene and Derivatives ABJ Parusel, W Nowak, S Grimme, G Köhler The Journal of Physical Chemistry A 102 (36), 7149-7156, 1998 | 95 | 1998 |
Molecular dynamics simulations of forced conformational transitions in 1, 6-linked polysaccharides G Lee, W Nowak, J Jaroniec, Q Zhang, PE Marszalek Biophysical Journal 87 (3), 1456-1465, 2004 | 82 | 2004 |
2D-dynamic representation of DNA sequences D Bielinska-Waz, T Clark, P Waz, W Nowak, A Nandy Chemical physics letters 442 (1), 140-144, 2007 | 79 | 2007 |
Elastic properties of single amylose chains in water: A quantum mechanical and AFM study Z Lu, W Nowak, G Lee, PE Marszalek, W Yang Journal of the American Chemical Society 126 (29), 9033-9041, 2004 | 60 | 2004 |
Locally enhanced sampling in free energy calculations: application of mean field approximation to accurate calculation of free energy differences G Verkhivker, R Elber, W Nowak The Journal of chemical physics 97 (10), 7838-7841, 1992 | 58 | 1992 |
Ligand diffusion in proteins via enhanced sampling in molecular dynamics J Rydzewski, W Nowak Physics of Life Reviews 22, 58-74, 2017 | 57 | 2017 |
Reaction path study of ligand diffusion in proteins: application of the self penalty walk (SPW) method to calculate reaction coordinates for the motion of CO through leghemoglobin W Nowak, R Czerminski, R Elber Journal of the American Chemical Society 113 (15), 5627-5637, 1991 | 52 | 1991 |
Distribution moments of 2D-graphs as descriptors of DNA sequences D Bielinska-Waz, W Nowak, P Waz, A Nandy, T Clark Chemical physics letters 443 (4), 408-413, 2007 | 51 | 2007 |
Dominant ELOVL1 mutation causes neurological disorder with ichthyotic keratoderma, spasticity, hypomyelination and dysmorphic features A Kutkowska-Kaźmierczak, M Rydzanicz, A Chlebowski, ... Journal of medical genetics 55 (6), 408-414, 2018 | 49 | 2018 |
On the possibility of fluorescence from twisted intramolecular charge transfer states of 2-dimethylamino-6-acylnaphthalenes. A quantum-chemical study W Nowak, P Adamczak, A Balter, A Sygula Journal of Molecular Structure: THEOCHEM 139 (1-2), 13-23, 1986 | 48 | 1986 |
The repellent DEET potentiates carbamate effects via insect muscarinic receptor interactions: an alternative strategy to control insect vector-borne diseases A Abd-Ella, M Stankiewicz, K Mikulska, W Nowak, C Pennetier, M Goulu, ... PloS one 10 (5), e0126406, 2015 | 46 | 2015 |
Mechanical aspects of nitrile hydratase enzymatic activity. Steered molecular dynamics simulations of Pseudonocardia thermophila JCM 3095 L Peplowski, K Kubiak, W Nowak Chemical Physics Letters 467 (1-3), 144-149, 2008 | 41 | 2008 |
Machine learning based dimensionality reduction facilitates ligand diffusion paths assessment: a case of cytochrome P450cam J Rydzewski, W Nowak Journal of Chemical Theory and Computation 12 (4), 2110-2120, 2016 | 37 | 2016 |
Locally enhanced sampling molecular dynamics study of the dioxygen transport in human cytoglobin S Orlowski, W Nowak Journal of Molecular Modeling 13, 715-723, 2007 | 35 | 2007 |
Computational approach to understanding autism spectrum disorders W Duch, W Nowak, J Meller, G Osiński, K Dobosz, D Mikołajewski, ... Computer Science 13 (2), 47-47, 2012 | 32 | 2012 |
Kinetics of huperzine A dissociation from acetylcholinesterase via multiple unbinding pathways J Rydzewski, R Jakubowski, W Nowak, H Grubmuller Journal of Chemical Theory and Computation 14 (6), 2843-2851, 2018 | 31 | 2018 |
Density functional study on geometry and electronic structure of nitrile hydratase active site model W Nowak, Y Ohtsuka, J Hasegawa, H Nakatsuji International journal of quantum chemistry 90 (3), 1174-1187, 2002 | 31 | 2002 |
Fibronectin Module FNIII9 Adsorption at Contrasting Solid Model Surfaces Studied by Atomistic Molecular Dynamics K Kubiak-Ossowska, PA Mulheran, W Nowak The Journal of Physical Chemistry B 118 (33), 9900-9908, 2014 | 30 | 2014 |
Consciousness and attention in autism spectrum disorders W Duch, W Nowak, J Meller, G Osiński, K Dobosz, D Mikołajewski, ... Proceedings of Cracow Grid Workshop 2010, 202-211, 2011 | 28 | 2011 |