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List of works by Diogo Santos Martins

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

scientific article published on 19 July 2021

AutoDock4(Zn): an improved AutoDock force field for small-molecule docking to zinc metalloproteins

scientific article

Calculation of distribution coefficients in the SAMPL5 challenge from atomic solvation parameters and surface areas

scientific article

Cholesterol Biosynthesis: A Mechanistic Overview.

scientific article published on 7 September 2016

Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4

scientific article published on 06 November 2019

D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU

scientific article published on 06 November 2019

HMG-CoA Reductase inhibitors: an updated review of patents of novel compounds and formulations (2011-2015).

scientific article published on 18 August 2016

Interaction with specific HSP90 residues as a scoring function: validation in the D3R Grand Challenge 2015.

scientific article published on 22 August 2016

Receptor-based virtual screening protocol for drug discovery.

scientific article published on June 2015

Ringtail: A Python Tool for Efficient Management and Storage of Virtual Screening Results

scientific article published in 2023

Structural basis for strand-transfer inhibitor binding to HIV intasomes

scientific article

Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge

scientific article published on 4 February 2014

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