| 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 | 5264 | 2008 |
| 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 | 108 | 2016 |
| 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 | 99 | 2011 |
| 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 | 60 | 2006 |
| Mesoscale modeling of block copolymer nanocomposites KM Langner, GJA Sevink Soft Matter 8, 5102-5118, 2012 | 55 | 2012 |
| 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 | 45 | 2013 |
| Intriguing relations of interaction energy components in stacked nucleic acids KM Langner, WA Sokalski, J Leszczyński The Journal of chemical physics 127, 111102, 2007 | 41 | 2007 |
| 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 | 35 | 2017 |
| 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 | 33 | 2013 |
| 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 | 30 | 2011 |
| 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 | 22 | 2015 |
| 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 | 21* | 2016 |
| 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 | 16 | 2012 |
| 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 | 13 | 2013 |
| 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 | 12 | 2011 |
| Amueller/Word_Cloud: Wordcloud 1.5. 0 A Mueller, JC Fillion-Robin, R Boidol, F Tian, P Nechifor, R Rampin, ... Zenodo, 2018 | 10 | 2018 |
| 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 | 10 | 2013 |
| 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 | 7 | 2005 |
| Tracking molecular charge distribution along reaction paths with atomic multipole moments KM Langner, WL Beker, E Dyguda-Kazimierowicz, WA Sokalski Structural Chemistry 27, 429-438, 2016 | 6 | 2016 |
| Structuring with anisotropic colloids M Dijkstra, A Ghosh, JDR Harting, M van Hecke, A Siemens, B Kaoui, ... Proceedings of the Workshop Physics with Industry, 17-21 October 2011 …, 2011 | 3 | 2011 |
Noel M. O'BoyleComputational Chemist, Nxera Pharma, Cambridge, UK在 soseiheptares.com 的电子邮件经过验证
