Follow
Christoph Klein
Christoph Klein
insitro
Verified email at insitro.com - Homepage
Title
Cited by
Cited by
Year
MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories
RT McGibbon, KA Beauchamp, MP Harrigan, C Klein, JM Swails, ...
Biophysical Journal 109, 1528-1532, 2015
18392015
OpenMM 4: a reusable, extensible, hardware independent library for high performance molecular simulation
P Eastman, MS Friedrichs, JD Chodera, RJ Radmer, CM Bruns, JP Ku, ...
Journal of chemical theory and computation 9 (1), 461-469, 2013
7032013
Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset
MR Shirts, C Klein, JM Swails, J Yin, MK Gilson, DL Mobley, DA Case, ...
Journal of computer-aided molecular design 31, 147-161, 2017
2492017
A hierarchical, component based approach to screening properties of soft matter
C Klein, J Sallai, TJ Jones, CR Iacovella, C McCabe, PT Cummings
Foundations of molecular modeling and simulation: Select papers from FOMMS …, 2016
482016
Formalizing atom-typing and the dissemination of force fields with foyer
C Klein, AZ Summers, MW Thompson, JB Gilmer, C McCabe, ...
Computational Materials Science 167, 215-227, 2019
462019
Tunable transition from hydration to monomer-supported lubrication in zwitterionic monolayers revealed by molecular dynamics simulation
C Klein, CR Iacovella, C McCabe, PT Cummings
Soft Matter 11 (17), 3340-3346, 2015
212015
Perfluoropolyethers: development of an all-atom force field for molecular simulations and validation with new experimental vapor pressures and liquid densities
JE Black, GMC Silva, C Klein, CR Iacovella, P Morgado, LFG Martins, ...
The Journal of Physical Chemistry B 121 (27), 6588-6600, 2017
182017
A general beam shaping technique-Multiple-feed offset reflector antenna system
C Han, A SMOLL, H BILENKO, C CHUANG, C KLEIN
6th Communications Satellite Systems Conference, 249, 1976
131976
Web-and cloud-based software infrastructure for materials design
J Sallai, G Varga, S Toth, C Iacovella, C Klein, C McCabe, A Ledeczi, ...
Procedia Computer Science 29, 2034-2044, 2014
112014
Idea Paper: Development of a Software Framework for Formalizing Forcefield Atom-Typing for Molecular Simulation
CR Iacovella, J Sallai, C Klein, T Ma
4th Workshop on Sustainable Software for Science: Practice and Experiences …, 2016
92016
An allelic-series rare-variant association test for candidate-gene discovery
ZR McCaw, C O’Dushlaine, H Somineni, M Bereket, C Klein, T Karaletsos, ...
The American Journal of Human Genetics 110 (8), 1330-1342, 2023
52023
Computational Tools
RT McGibbon, KA Beauchamp, MP Harrigan, C Klein, JM Swails, ...
Biophysical Journal 109, 1528-1532, 2015
12015
Molecular Simulation and Design Framework (MoSDef) for Transparent, Reproducible, Usable By Others, Extensible Simulations (TRUE)
P Cummings, J Gilmer, C Klein, M Thompson, J Sallai, AZ Summers, ...
2019 AIChE Annual Meeting, 2019
2019
Foyer: A Framework for Defining Force Field Usage Semantics and Atom-Typing Molecular Systems
J Gilmer, C Klein, AZ Summers, M Thompson, P Cummings, C McCabe, ...
2019 AIChE Annual Meeting, 2019
2019
Zwitterionic Contribution to the Hydration Lubrication Dynamics of Poly (2-methacryloyloxyethyl phosphorylcholine)
J Gilmer, C Klein, WL Roussell, C Iacovella, P Cummings, C McCabe
2018 AIChE Annual Meeting, 2018
2018
Foyer: A Framework for Defining Force Field Usage Semantics and Atom-Typing Molecular Systems
C Iacovella, C Klein, J Gilmer, AZ Summers, JE Black, J Sallai, P Volgyesi, ...
2018 AIChE Annual Meeting, 2018
2018
MoSDeF: Molecular Simulation and Design Framework
P Cummings
2018 AIChE Annual Meeting, 2018
2018
Foyer: A Framework for Defining Force Field Usage Semantics and Atom-Typing Molecular Systems
C Klein, AZ Summers, P Cummings, J Sallai, C Iacovella, C McCabe
2017 AIChE Annual Meeting, 2017
2017
Screening Self-Assembled Monolayers for Lubrication Properties: Trends and Pitfalls
C Iacovella, C Klein, TJ Jones, C McCabe, P Cummings
2017 AIChE Annual Meeting, 2017
2017
Hydration Structure and Dynamics of Poly (2-methacryloyloxyethyl phosphorylcholine)
C Klein, WL Roussell, C Iacovella, C McCabe, P Cummings
2017 AIChE Annual Meeting, 2017
2017
The system can't perform the operation now. Try again later.
Articles 1–20