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Publications by Rommie E. Amaro
POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Magnesium-Induced Nucleophile Activation in the Guanylyltransferase mRNA Capping Enzyme
Biochemistry
Biochemistry
Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands
Journal of Chemical Information and Modeling
Computer Science Applications
Chemistry
Chemical Engineering
Library
Information Sciences
Enhancing Virtual Screening Performance of Protein Kinases With Molecular Dynamics Simulations
Journal of Chemical Information and Modeling
Computer Science Applications
Chemistry
Chemical Engineering
Library
Information Sciences
Molecular-Level Simulation of Pandemic Influenza Glycoproteins
Methods in Molecular Biology
Genetics
Molecular Biology
Teach–Discover–Treat (TDT): Collaborative Computational Drug Discovery for Neglected Diseases
Journal of Molecular Graphics and Modelling
Computer Graphics
Theoretical Chemistry
Materials Chemistry
Computer-Aided Design
Spectroscopy
Physical
Active Site Plasticity and Possible Modes of Chemical Inhibition of the Human DNA Deaminase APOBEC3B
FASEB BioAdvances
Ensemble-Based Virtual Screening Reveals Potential Novel Antiviral Compounds for Avian Influenza Neuraminidase
Journal of Medicinal Chemistry
Drug Discovery
Molecular Medicine
Structural Elements in IGP Synthase Exclude Water to Optimize Ammonia Transfer
Biophysical Journal
Biophysics
An Improved Relaxed Complex Scheme for Receptor Flexibility in Computer-Aided Drug Design
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
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