Publications

2020 July 8

Δ(9)-Tetrahydrocannabinolic Acid Alleviates Collagen-Induced Arthritis: Role Of PPARγ And CB(1) Receptors

2020 July 4

Modeling of Protein Complexes and Molecular Assemblies with pyDock

2020 June 29

Docking approaches for modeling multi-molecular assemblies

2020 June 27

Mapping enzyme-substrate interactions: its potential to study the mechanism of enzymes

2020 April 1

pyDockEneRes: per-residue decomposition of protein-protein docking energy

2020 March 23

Frag-PELE: Dynamic Ligand Growing within a Binding Site. A Novel Tool for Hit-To-Lead Drug Design

2020 March 18

A multi-modal coarse grained model of DNA flexibility mappable to the atomistic level

2020 February 17

Monte Carlo Simulations Using Pele To Identify A Protein-Protein Inhibitor Binding Site And Pose

2020 February 17

PPI-PELE: Monte Carlo simulations using PELE to identify a protein-protein inhibitor binding site and pose

2020 February 4

Determination of a Structural Ensemble Representing the Dynamics of a G-Quadruplex DNA

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Antibodies Antigens Docking Drug Repurposing Enzyme Directed Evolution Enzyme profiling Induced fit MD MM/QM Molecular Dynamics PELE PELE-DNA/RNA Peptides PPI RNA Software Development Target Profiling