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K. Kanekal · SciRah

Researcher profile · Semantic Scholar

K. Kanekal

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K. Kanekal — researcher profile on SciRah

h-index: 6
Works: 13
Citations: 217

Most-cited papers

Drug–Membrane Permeability across Chemical Space
R. Menichetti, K. Kanekal, Tristan Bereau
2018ACS Central Science106 citations Open access
Semantic Scholar
In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force.
R. Menichetti, K. Kanekal, K. Kremer, Tristan Bereau
2017Journal of Chemical Physics38 citations Open access
Semantic Scholar
Resolution limit of data-driven coarse-grained models spanning chemical space.
K. Kanekal, Tristan Bereau
2019Journal of Chemical Physics23 citations Open access
Semantic Scholar
Controlled exploration of chemical space by machine learning of coarse-grained representations.
Christian Hoffmann, R. Menichetti, K. Kanekal, Tristan Bereau
2019Physical Review E18 citations Open access
Semantic Scholar
Assessment of molecular dynamics simulations for amorphous poly(3-hexylthiophene) using neutron and X-ray scattering experiments.
Caitlyn M. Wolf, K. Kanekal, Yeneneh Y. Yimer, M. Tyagi +5 more
2019Soft Matter17 citations
Semantic Scholar
Broad chemical transferability in structure-based coarse-graining.
K. Kanekal, J. F. Rudzinski, Tristan Bereau
2022Journal of Chemical Physics12 citations Open access
Semantic Scholar
Section II: Microstructure of Semiconducting Polymers Chapter 5: Characterization of Polymer Semiconductors by Neutron Scattering Techniques
Gregory M. Newbloom, K. Kanekal, J. Richards, L. Pozzo
20162 citations
Semantic Scholar
Investigating Drug-Membrane Permeability across Chemical Compound Space using High-Throughput Coarse-Grained Simulations
R. Menichetti, K. Kanekal, Tristan Bereau
2019Biophysical Journal1 citations Open access
Semantic Scholar
Drug-membrane permeabilities across chemical space
R. Menichetti, K. Kanekal, Tristan Bereau
20190 citations
Semantic Scholar
High-Throughput Thermodynamics of Drug-Membrane Interactions from Multiscale Simulations
R. Menichetti, K. Kanekal, K. Kremer, Tristan Bereau
20170 citations Open access
Semantic Scholar
Structure and dynamics of conjugated polymers from scattering and simulations
L. Pozzo, K. Kanekal, Caitlyn M. Wolf, Yeneneh Y. Yimer +1 more
20170 citations Open access
Semantic Scholar
Experimental and Computational Study of Structure and Dynamics of Bulk Conjugated Polymer Systems
K. Kanekal
20160 citations
Semantic Scholar
490 Synergistic combination of SDX-102 with docetaxol or 5-fluorouracil in pre-clinical models of lung and pancreatic cancer
L. Leoni, C. Niemeyer, Heather Bendall, Brandi Bailey +4 more
20040 citations
Semantic Scholar

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