Alpeshkumar K. Malde

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0

Alpeshkumar K. Malde, L. Zuo, Matthew Breeze et al. · Journal of Chemical Theory and Computation · 2011 · 1.8K citations

Engineering, Molecular Biology, Computer-aided Design +26

Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies

Katarzyna B. Koziara, Martin Stroet, Alpeshkumar K. Malde et al. · Journal of Computer-Aided Molecular Design · 2014 · 510 citations

Thermodynamic Modelling, Automated Topology Builder, Engineering +11

Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane

Martin Stroet, Bertrand Caron, Koen M. Visscher et al. · Journal of Chemical Theory and Computation · 2018 · 502 citations · Full text

SARM1 is a metabolic sensor activated by an increased NMN/NAD+ ratio to trigger axon degeneration

Matthew D. Figley, Weixi Gu, Jeffrey D. Nanson et al. · Neuron · 2021 · 326 citations · Full text

Nmn/nad+ Ratio, Molecular Neuroscience, Signal Transduction +11

Charge Group Partitioning in Biomolecular Simulation

Stefan Canzar, Mohammed El-Kebir, René Pool et al. · Journal of Computational Biology · 2013 · 162 citations · Full text