Concepedia

Diogo Santos‐Martins

DS

27

Publications

7.7K

Citations

22

H-Index

2014

Active since

Affiliations

Scripps Research Institute(Current)

Scripps Institution of Oceanography

Technical University of Darmstadt

Scripps (United States)

Nvidia (United States)

Diogo Santos‐Martins is an author at Scripps Research Institute specializing in engineering, molecular docking, and natural sciences.

ORCID

Top concepts

Publications per year

2014–2022

27

Publications

27

AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings

Jérôme Eberhardt, Diogo Santos‐Martins, Andreas F. Tillack et al. · Journal of Chemical Information and Modeling · 2021 · 5.7K citations · Full text

Accelerating A <scp>uto</scp> D <scp>ock</scp> 4 with GPUs and Gradient-Based Local Search

Diogo Santos‐Martins, Leonardo Solis-Vasquez, Andreas F. Tillack et al. · Journal of Chemical Theory and Computation · 2021 · 351 citations · Full text

AutoDock4<sub>Zn</sub>: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins

Diogo Santos‐Martins, Stefano Forli, Maria J. Ramos et al. · Journal of Chemical Information and Modeling · 2014 · 284 citations · Full text

SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase

Qinheng Zheng, Jordan L. Woehl, Seiya Kitamura et al. · Proceedings of the National Academy of Sciences · 2019 · 188 citations · Full text

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

Atanu Acharya, Rupesh Agarwal, Matthew Baker et al. · Journal of Chemical Information and Modeling · 2020 · 185 citations · Full text

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