Diogo Santos-Martins

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 10

Top Topics

Molecular Dynamics Simulations

Acinetobacter Baumannii

Top Venues

Journal of computer-aided molecular design

Journal of chemical information and modeling

Science (New York, N.Y.)

This page only lists publications with an associated author ORCID identifier.

Publications

Christina M Garza, Matthew Holcomb, Diogo Santos-Martins, Bruce E Torbett, Stefano Forli
IP6 and PF74 affect HIV-1 Capsid Stability through Modulation of Hexamer-Hexamer Tilt Angle Preference. bioRxiv : the preprint server for biology (2024)
Giulia Bianco, Matthew Holcomb, Diogo Santos-Martins, Andreas F Tillack, Althea T Hansel-Harris, Stefano Forli
Reactive Docking: A Computational Method for High-Throughput Virtual Screenings of Reactive Species. Journal of chemical information and modeling (2023)
Althea T Hansel-Harris, Diogo Santos-Martins, Niccolò Bruciaferri, Andreas F Tillack, Matthew Holcomb, Stefano Forli
Ringtail: A Python Tool for Efficient Management and Storage of Virtual Screening Results. Journal of chemical information and modeling (2023)
Matthew Holcomb, Diogo Santos-Martins, Andreas F Tillack, Stefano Forli
Performance evaluation of flexible macrocycle docking in AutoDock. QRB discovery 3 (2022)
Jerome Eberhardt, Diogo Santos-Martins, Andreas F Tillack, Stefano Forli
AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings. Journal of chemical information and modeling 61 (8) (2021)
Dario Oliveira Passos, Min Li, Ilona K Jóźwik, Xue Zhi Zhao, Diogo Santos-Martins, Renbin Yang, Steven J Smith, Youngmin Jeon, Stefano Forli, Stephen H Hughes, Terrence R Burke, Robert Craigie, Dmitry Lyumkis
Structural basis for strand-transfer inhibitor binding to HIV intasomes. Science (New York, N.Y.) 367 (6479) (2020)
Léa El Khoury, Diogo Santos-Martins, Sukanya Sasmal, Jérôme Eberhardt, Giulia Bianco, Francesca Alessandra Ambrosio, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, David L Mobley
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4. Journal of computer-aided molecular design 33 (12) (2019)
Diogo Santos-Martins, Jerome Eberhardt, Giulia Bianco, Leonardo Solis-Vasquez, Francesca Alessandra Ambrosio, Andreas Koch, Stefano Forli
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU. Journal of computer-aided molecular design 33 (12) (2019)
Diogo Santos-Martins
Interaction with specific HSP90 residues as a scoring function: validation in the D3R Grand Challenge 2015. Journal of computer-aided molecular design 30 (9) (2016)
Diogo Santos-Martins, Pedro Alexandrino Fernandes, Maria João Ramos
Calculation of distribution coefficients in the SAMPL5 challenge from atomic solvation parameters and surface areas. Journal of computer-aided molecular design 30 (11) (2016)