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Publications by Jordi Juárez-Jiménez
Blinded Predictions of Binding Modes and Energies of HSP90-α Ligands for the 2015 D3R Grand Challenge
Bioorganic and Medicinal Chemistry
Organic Chemistry
Molecular Medicine
Molecular Biology
Biochemistry
Clinical Biochemistry
Pharmaceutical Science
Drug Discovery
Design, Synthesis and Biological Evaluation of N-Methyl-N-[(1,2,3-Triazol-4-Yl)alkyl]propargylamines as Novel Monoamine Oxidase B Inhibitors
Bioorganic and Medicinal Chemistry
Organic Chemistry
Molecular Medicine
Molecular Biology
Biochemistry
Clinical Biochemistry
Pharmaceutical Science
Drug Discovery
Related publications
Large Scale Free Energy Calculations for Blind Predictions of Protein–ligand Binding: The D3R Grand Challenge 2015
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Blinded Predictions of Standard Binding Free Energies: Lessons Learned From the SAMPL6 Challenge
Blinded Predictions of Standard Binding Free Energies: Lessons Learned From the SAMPL6 Challenge
Docking Rigid Macrocycles Using Convex-Pl, AutoDock Vina, and RDKit in the D3R Grand Challenge 4
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Comparison of Ligand Affinity Ranking Using AutoDock-GPU and MM-GBSA Scores in the D3R Grand Challenge 4
Does DFT-D Estimate Accurate Energies for the Binding of Ligands to Metal Complexes?
Dalton Transactions
Inorganic Chemistry
Docking of Small Molecules to Farnesoid X Receptors Using AutoDock Vina With the Convex-Pl Potential: Lessons Learned From D3R Grand Challenge 2
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
The Grand Challenge of the Energy Transition
Frontiers in Energy Research
Energy Engineering
Renewable Energy
Economics
Fuel Technology
the Environment
Sustainability
Power Technology
Econometrics
Computational Predictions of Corroles as a Class of Hsp90 Inhibitors
Molecular BioSystems
Biotechnology
Molecular Biology
