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Publications by Max Totrov
Docking to Multiple Pockets or Ligand Fields for Screening, Activity Prediction and Scaffold Hopping
Future Medicinal Chemistry
Drug Discovery
Molecular Medicine
Pharmacology
Related publications
Receptor Flexibility in Ligand Docking and Virtual Screening
VoteDock: Consensus Docking Method for Prediction of Protein-Ligand Interactions
Journal of Computational Chemistry
Computational Mathematics
Chemistry
Combining Structural and Bioactivity-Based Fingerprints Improves Prediction Performance and Scaffold Hopping Capability
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Combining Machine Learning Systems and Multiple Docking Simulation Packages to Improve Docking Prediction Reliability for Network Pharmacology
PLoS ONE
Multidisciplinary
Effectiveness of 2D Fingerprints for Scaffold Hopping
Future Medicinal Chemistry
Drug Discovery
Molecular Medicine
Pharmacology
Computational Protein–ligand Docking and Virtual Drug Screening With the AutoDock Suite
Nature Protocols
Biochemistry
Genetics
Molecular Biology
In Silico Work Flow for Scaffold Hopping in Leishmania
BMC Research Notes
Biochemistry
Medicine
Genetics
Molecular Biology
Affinity Prediction Using Mutated Protein-Ligand Docking With Regression Techniques of SCA
International Journal of Recent Technology and Engineering
Engineering
Management of Technology
Innovation
Discovery of New Photoactivatable Diaryltetrazoles for Photoclick Chemistry via ‘Scaffold Hopping’
Bioorganic and Medicinal Chemistry Letters
Organic Chemistry
Molecular Medicine
Molecular Biology
Biochemistry
Clinical Biochemistry
Pharmaceutical Science
Drug Discovery
