Karol M. Langner
Karol M. Langner
Verified email at google.com
Title
Cited by
Cited by
Year
cclib: A library for package‐independent computational chemistry algorithms
NM O'Boyle, AL Tenderholt, KM Langner
Journal of Computational Chemistry 29 (5), 839--845, 2008
34902008
Open data, open source and open standards in chemistry: The blue obelisk five years on
NM O’Boyle, R Guha, EL Willighagen, SE Adams, J Alvarsson, JC Bradley, ...
Journal of Cheminformatics 3, 37, 2011
792011
A public database of macromolecular diffraction experiments
M Grabowski, KM Langner, M Cymborowski, PJ Porebski, P Sroka, ...
Acta Crystallographica Section D: Structural Biology 72 (11), 1181-1193, 2016
762016
Physical nature of ethidium and proflavine interactions with nucleic acid bases in the intercalation plane
KM Langner, P Kędzierski, WA Sokalski, J Leszczyński
The Journal of Physical Chemistry B 110 (19), 9720-9727, 2006
532006
Mesoscale modeling of block copolymer nanocomposites
KM Langner, GJA Sevink
Soft Matter 8, 5102-5118, 2012
442012
Intriguing relations of interaction energy components in stacked nucleic acids
KM Langner, WA Sokalski, J Leszczyński
The Journal of chemical physics 127, 111102, 2007
372007
Electric Field Induced Selective Disordering in Lamellar Block Copolymers
M Ruppel, CW Pester, KM Langner, GJA Sevink, HG Schoberth, ...
ACS Nano 7 (5), 3854-3867, 2013
342013
Hierarchical Structuring in Block Copolymer Nanocomposites through Two Phase‐Separation Processes Operating on Different Time Scales
E Ploshnik, KM Langner, A Halevi, M Ben‐Lulu, AHE Müller, ...
Advanced Functional Materials, 2013
282013
Selective disordering of lamella-forming diblock copolymers under an electric field
GJA Sevink, M Pinna, KM Langner, AV Zvelindovsky
Soft Matter 7 (11), 5161-5170, 2011
242011
A combined systems and structural modeling approach repositions antibiotics for Mycoplasma genitalium
D Kazakiewicz, JR Karr, KM Langner, D Plewczynski
Computational biology and chemistry 59, 91-97, 2015
162015
Data mining of iron (II) and iron (III) bond-valence parameters, and their relevance for macromolecular crystallography
H Zheng, KM Langner, GP Shields, J Hou, M Kowiel, FH Allen, ...
Acta Crystallographica Section D: Structural Biology 73 (4), 316-325, 2017
152017
Robust Predictive Power of the Electrostatic Term at Shortened Intermolecular Distances
KM Langner, W Beker, WA Sokalski
The Journal of Physical Chemistry Letters 3 (19), 2785-2789, 2012
132012
The ethidium--UA/AU intercalation site: effect of model fragmentation and backbone charge state
KM Langner, T Janowski, RW Góra, P Dziekoński, A Sokalski, P Pulay
Journal of Chemical Theory and Computation 7 (8), 2600-2609, 2011
112011
An open reproducible framework for the study of the iterated prisoner's dilemma
V Knight, O Campbell, M Harper, K Langner, J Campbell, T Campbell, ...
Journal of Open Research Software 4 (1), e35, 2016
10*2016
Low cost prediction of relative stabilities of hydrogen bonded complexes from atomic multipole moments for overly short intermolecular distances
W Beker, KM Langner, E Dyguda‐Kazimierowicz, M Feliks, WA Sokalski
Journal of computational chemistry 34 (21), 1797-1799, 2013
102013
Non-Empirical Energetic Analysis of Reactivity and Covalent Inhibition of Fatty Acid Amide Hydrolase
EI Chudyk, E Dyguda-Kazimierowicz, KM Langner, WA Sokalski, ...
The Journal of Physical Chemistry B 117 (22), 6656-6666, 2013
102013
A continuous-time random-walk approach to the Cole-Davidson dielectric response of dipolar liquids
B Szabat, KM Langner, B Klösgen, K Weron
Acta Physica Polonica B 36 (5), 1823, 2005
72005
Tracking molecular charge distribution along reaction paths with atomic multipole moments
KM Langner, WL Beker, E Dyguda-Kazimierowicz, WA Sokalski
Structural Chemistry 27 (2), 429-438, 2016
52016
Quantitative evaluation of 52 kD Ro/SS-A intracellular distribution in keratinocytes exposed to UVB radiation
A Woźniacka, K Langner, DP McCauliffe, A Sysa-Jędrzejowska, ...
Optica Applicata 34 (1), 77-85, 2004
32004
Structuring with anisotropic colloids
M Dijkstra, A Ghosh, J Harting, M van Hecke, A Siemens, B Kaoui, ...
Proceedings of the Workshop Physics with Industry, 17–21 October 2011 …, 2011
12011
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