Year |
Citation |
Score |
2020 |
Walczewska-Szewc K, Nowak W. Structural Determinants of Insulin Release: Disordered N-Terminal Tail of Kir6.2 Affects Potassium Channel Dynamics through Interactions with Sulfonylurea Binding Region in a SUR1 Partner. The Journal of Physical Chemistry. B. PMID 32598150 DOI: 10.1021/Acs.Jpcb.0C02720 |
0.329 |
|
2019 |
Dąbrowski J, Nowak W, Ptak A. How strong are hydrogen bonds in the peptide model? Physical Chemistry Chemical Physics : Pccp. PMID 31859314 DOI: 10.1039/C9Cp05564A |
0.33 |
|
2019 |
Mikulska-Ruminska K, Strzelecki J, Nowak W. Dynamics, nanomechanics and signal transduction in reelin repeats. Scientific Reports. 9: 18974. PMID 31831824 DOI: 10.1038/S41598-019-55461-8 |
0.346 |
|
2019 |
Carrascoza Mayén JF, Rydzewski J, Szostak N, Blazewicz J, Nowak W. Prebiotic Soup Components Trapped in Montmorillonite Nanoclay Form New Molecules: Car-Parrinello Ab Initio Simulations. Life (Basel, Switzerland). 9. PMID 31167366 DOI: 10.3390/Life9020046 |
0.325 |
|
2018 |
Rydzewski J, Jakubowski R, Nowak W, Grubmüller H. Kinetics of Huperzine A Dissociation from Acetylcholinesterase via Multiple Unbinding Pathways. Journal of Chemical Theory and Computation. PMID 29715428 DOI: 10.1021/Acs.Jctc.8B00173 |
0.339 |
|
2018 |
Rydzewski J, Nowak W. Photoinduced transport in an H64Q neuroglobin antidote for carbon monoxide poisoning. The Journal of Chemical Physics. 148: 115101. PMID 29566507 DOI: 10.1063/1.5013659 |
0.31 |
|
2017 |
Mikulska-Ruminska K, Kulik AJ, Benadiba C, Bahar I, Dietler G, Nowak W. Nanomechanics of multidomain neuronal cell adhesion protein contactin revealed by single molecule AFM and SMD. Scientific Reports. 7: 8852. PMID 28821864 DOI: 10.1038/S41598-017-09482-W |
0.36 |
|
2017 |
Rydzewski J, Nowak W. Thermodynamics of camphor migration in cytochrome P450cam by atomistic simulations. Scientific Reports. 7: 7736. PMID 28798338 DOI: 10.1038/S41598-017-07993-0 |
0.339 |
|
2017 |
Rydzewski J, Nowak W. Ligand diffusion in proteins via enhanced sampling in molecular dynamics. Physics of Life Reviews. PMID 28410930 DOI: 10.1016/J.Plrev.2017.03.003 |
0.352 |
|
2017 |
Mikulska-Ruminska K, Kulik AJ, Kaya C, BenAdiba C, Dietler G, Nowak W, Bahar I. MechStiff : A New Tool for Evaluating Stress-Induced Dynamics and Application to Cell Adhesion Proteins Biophysical Journal. 112: 45a-46a. DOI: 10.1016/J.Bpj.2016.11.286 |
0.365 |
|
2016 |
Rydzewski J, Nowak W. Machine Learning Based Dimensionality Reduction Facilitates Ligand Diffusion Paths Assessment: A Case of Cytochrome P450cam. Journal of Chemical Theory and Computation. 12: 2110-2120. PMID 26989997 DOI: 10.1021/Acs.Jctc.6B00212 |
0.303 |
|
2016 |
Gogolinska A, Jakubowski R, Nowak W. Petri nets formalism facilitates analysis of complex biomolecular structural data Rairo-Operations Research. 50: 401-411. DOI: 10.1051/Ro/2015043 |
0.339 |
|
2015 |
Rydzewski J, Jakubowski R, Nowak W. Communication: Entropic measure to prevent energy over-minimization in molecular dynamics simulations. Journal of Chemical Physics. 143: 171103-171103. PMID 26547151 DOI: 10.1063/1.4935370 |
0.303 |
|
2015 |
Rydzewski J, Nowak W. Memetic algorithms for ligand expulsion from protein cavities. Journal of Chemical Physics. 143: 124101-124101. PMID 26428990 DOI: 10.1063/1.4931181 |
0.346 |
|
2014 |
Strzelecki J, Peplowski L, Lenartowski R, Nowak W, Balter A. Mechanical transition in a highly stretched and torsionally constrained DNA. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 89: 020701. PMID 25353406 DOI: 10.1103/Physreve.89.020701 |
0.337 |
|
2014 |
Mikulska K, Strzelecki J, Nowak W. Nanomechanics of β-rich proteins related to neuronal disorders studied by AFM, all-atom and coarse-grained MD methods. Journal of Molecular Modeling. 20: 2144. PMID 24562857 DOI: 10.1007/S00894-014-2144-5 |
0.384 |
|
2013 |
Gogolinska A, Nowak W. Molecular basis of lateral force spectroscopy nano-diagnostics: computational unbinding of autism related chemokine MCP-1 from IgG antibody. Journal of Molecular Modeling. 19: 4773-80. PMID 24061853 DOI: 10.1007/S00894-013-1972-Z |
0.336 |
|
2013 |
Miszta P, Basak SC, Natarajan R, Nowak W. How computational studies of mosquito repellents contribute to the control of vector Borne Diseases. Current Computer-Aided Drug Design. 9: 300-7. PMID 24010929 DOI: 10.2174/15734099113099990018 |
0.308 |
|
2013 |
ż DBa, ż PWa, Clark T, Puzyn T, Pepłowski Ł, Nowak W. Statistical properties of spectra of chloronaphthalenes Journal of Mathematical Chemistry. 51: 857-867. DOI: 10.1007/S10910-012-0117-4 |
0.318 |
|
2012 |
Duch W, Nowak W, Meller J, Osiński G, Dobosz K, Mikołajewski D, Wójcik GM. COMPUTATIONAL APPROACH TO UNDERSTANDING AUTISM SPECTRUM DISORDERS Computer Science. 13: 47. DOI: 10.7494/Csci.2012.13.2.47 |
0.537 |
|
2012 |
Jasiński A, Mikulska K, Krajnik B, Mackowski S, Nowak W. Dynamics of Protein Elements of Hybrid Nanostructures - Molecular Dynamics Simulations of Light Harvesting Peridinin-Chlorophyll a-Protein Model Acta Physica Polonica A. 122: 284-288. DOI: 10.12693/Aphyspola.122.284 |
0.357 |
|
2012 |
Mikulska K, Strzelecki J, Balter A, Nowak W. Nanomechanical unfolding of α-neurexin: A major component of the synaptic junction Chemical Physics Letters. 521: 134-137. DOI: 10.1016/J.Cplett.2011.11.033 |
0.318 |
|
2011 |
Mikulska K, Pepłowski L, Nowak W. Nanomechanics of Ig-like domains of human contactin (BIG-2). Journal of Molecular Modeling. 17: 2313-23. PMID 21445711 DOI: 10.1007/S00894-011-1010-Y |
0.344 |
|
2011 |
Pepłowski L, Sikora M, Nowak W, Cieplak M. Molecular jamming--the cystine slipknot mechanical clamp in all-atom simulations. The Journal of Chemical Physics. 134: 085102. PMID 21361557 DOI: 10.1063/1.3553801 |
0.366 |
|
2011 |
Strzelecki JW, Strzelecka J, Mikulska K, Tszydel M, Balter A, Nowak W. Nanomechanics of new materials — AFM and computer modelling studies of trichoptera silk Central European Journal of Physics. 9: 482-491. DOI: 10.2478/S11534-010-0105-X |
0.312 |
|
2008 |
Kubiak K, Nowak W. Molecular dynamics simulations of the photoactive protein nitrile hydratase. Biophysical Journal. 94: 3824-38. PMID 18234830 DOI: 10.1529/Biophysj.107.116665 |
0.348 |
|
2008 |
Peplowski L, Kubiak K, Nowak W. Mechanical aspects of nitrile hydratase enzymatic activity. Steered molecular dynamics simulations of Pseudonocardia thermophila JCM 3095 Chemical Physics Letters. 467: 144-149. DOI: 10.1016/J.Cplett.2008.10.072 |
0.351 |
|
2007 |
Basak SC, Natarajan R, Nowak W, Miszta P, Klun JA. Three dimensional structure-activity relationships (3D-QSAR) for insect repellency of diastereoisomeric compounds: a hierarchical molecular overlay approach. Sar and Qsar in Environmental Research. 18: 237-50. PMID 17514568 DOI: 10.1080/10629360701303784 |
0.308 |
|
2007 |
Orlowski S, Nowak W. Locally enhanced sampling molecular dynamics study of the dioxygen transport in human cytoglobin. Journal of Molecular Modeling. 13: 715-23. PMID 17503097 DOI: 10.1007/S00894-007-0203-X |
0.33 |
|
2007 |
Peplowski L, Kubiak K, Nowak W. Insights into catalytic activity of industrial enzyme Co-nitrile hydratase. Docking studies of nitriles and amides. Journal of Molecular Modeling. 13: 725-30. PMID 17333306 DOI: 10.1007/S00894-007-0181-Z |
0.303 |
|
2007 |
Orlowski S, Nowak W. Oxygen diffusion in minihemoglobin from Cerebratulus lacteus: a locally enhanced sampling study Theoretical Chemistry Accounts. 117: 253-258. DOI: 10.1007/S00214-006-0139-8 |
0.337 |
|
2004 |
Lee G, Nowak W, Jaroniec J, Zhang Q, Marszalek PE. Molecular dynamics simulations of forced conformational transitions in 1,6-linked polysaccharides. Biophysical Journal. 87: 1456-65. PMID 15345528 DOI: 10.1529/Biophysj.104.042879 |
0.323 |
|
2004 |
Lu Z, Nowak W, Lee G, Marszalek PE, Yang W. Elastic properties of single amylose chains in water: a quantum mechanical and AFM study. Journal of the American Chemical Society. 126: 9033-41. PMID 15264836 DOI: 10.1021/Ja031940X |
0.351 |
|
2004 |
Lee G, Nowak W, Jaroniec J, Zhang Q, Marszalek PE. Nanomechanical control of glucopyranose rotamers. Journal of the American Chemical Society. 126: 6218-9. PMID 15149204 DOI: 10.1021/Ja0491984 |
0.346 |
|
2003 |
Kubiak K, Kowalska M, Nowak W. Molecular dynamics study of early events during photooxidation of eye lens protein γB-crystallin Journal of Molecular Structure-Theochem. 630: 315-325. DOI: 10.1016/S0166-1280(03)00161-1 |
0.331 |
|
2002 |
Nowak W, Ohtsuka Y, Hasegawa J, Nakatsuji H. Density functional study on geometry and electronic structure of nitrile hydratase active site model International Journal of Quantum Chemistry. 90: 1174-1187. DOI: 10.1002/Qua.10332 |
0.305 |
|
1998 |
Nowak W. Computer Modelling Of Dynamics Of Ser92X Deoxymyoglobin Mutants Computational Biology and Chemistry. 22: 49-59. PMID 9570112 DOI: 10.1016/S0097-8485(97)00045-4 |
0.316 |
|
1997 |
Nowak W, Wojtczak A. Quantum chemical modelling of thyroid hormone analogues Journal of Molecular Structure-Theochem. 419: 121-131. DOI: 10.1016/S0166-1280(97)00251-0 |
0.307 |
|
1997 |
Nowak W. Molecular dynamics simulations of human deoxymyoglobin with a modified proximal side of the heme group Journal of Molecular Structure-Theochem. 537-542. DOI: 10.1016/S0166-1280(96)04964-0 |
0.364 |
|
1996 |
Nowak W, Wierzbowska M. A theoretical study of geometry and transition moment directions of flexible fluorescent probes—acetoxy derivatives of phenylanthracene Journal of Molecular Structure-Theochem. 368: 223-234. DOI: 10.1016/S0166-1280(96)90567-9 |
0.308 |
|
1983 |
Nowak W, Karwowski J, Kłobukowski M. Relativistic and correlation corrections to electron affinities of alkali and halogen atoms Theoretica Chimica Acta. 63: 313-316. DOI: 10.1007/Bf01151608 |
0.609 |
|
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