Amanote Research
Register
Sign In
Discover open access scientific publications
Search, annotate, share and cite publications
Publications by Prasanth Babu Ganta
QM/MM Simulations of Organic Phosphorus Adsorption at the Diaspore-Water Interface
QM/MM Simulations of Organic Phosphorus Adsorption at the Diaspore-Water Interface
Related publications
Simulation of Adsorption Processes at Metallic Interfaces: An Image Charge Augmented QM/MM Approach
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Predicting Relative Binding Affinity Using Nonequilibrium QM/MM Simulations
Cope Elimination: Elucidation of Solvent Effects From QM/MM Simulations
Functionalization of Graphene at the Organic/Water Interface
Chemical Science
Chemistry
Insight Into the Phosphodiesterase Mechanism From Combined QM/MM Free Energy Simulations
FEBS Journal
Biochemistry
Cell Biology
Molecular Biology
Calculating Distribution Coefficients Based on Multi-Scale Free Energy Simulations: An Evaluation of MM and QM/MM Explicit Solvent Simulations of Water-Cyclohexane Transfer in the SAMPL5 Challenge
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Reversible Adsorption of Proteins at the Oil/Water Interface. I. Preferential Adsorption of Proteins at Charged Oil/Water Interfaces
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
Mathematics
Engineering
Astronomy
Physics
Complete Reaction Mechanism of Indoleamine 2,3-Dioxygenase as Revealed by QM/MM Simulations
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical