M Abraham
Biohaven Pharmaceuticals (United States)(US)
Publications by Year
Research Areas
Protein Structure and Dynamics, Scientific Computing and Data Management, Mass Spectrometry Techniques and Applications, Advanced Chemical Physics Studies, Parallel Computing and Optimization Techniques
Most-Cited Works
- → GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers(2015)25,545 cited
- → Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS(2015)1,209 cited
- → Optimization of parameters for molecular dynamics simulation using smooth particle‐mesh Ewald in GROMACS 4.5(2011)326 cited
- → Direct-Space Corrections Enable Fast and Accurate Lorentz–Berthelot Combination Rule Lennard-Jones Lattice Summation(2015)185 cited
- → Trends in Data Locality Abstractions for HPC Systems(2017)89 cited
- → Ensuring Mixing Efficiency of Replica-Exchange Molecular Dynamics Simulations(2008)88 cited
- → Sharing Data from Molecular Simulations(2019)52 cited
- → Programming Abstractions for Data Locality(2014)49 cited
- → Performance enhancements for GROMACS nonbonded interactions on BlueGene(2011)13 cited
- → On The Importance of Accurate Algorithms for Reliable Molecular Dynamics Simulations(2019)12 cited