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Publications by M. Spichty
Calculation of Free-Energy Differences by Confinement Simulations. Application to Peptide Conformers
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Related publications
Saturation Mutagenesis by Efficient Free-Energy Calculation
Computing Alchemical Free Energy Differences With Hamiltonian Replica Exchange Molecular Dynamics (H-Remd) Simulations
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Enthalpy Differences of the nPentane Conformers
Confinement Free Energy of Flexible Polyelectrolytes in Spherical Cavities
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Free Energy Landscape of Colloidal Clusters in Spherical Confinement
Calculation of Protein-Ligand Binding Free Energy by Using a Polarizable Potential
Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
Calculation of Relative Free Energy via Indirect Pathways
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Binding Free Energy Landscape of Domain-Peptide Interactions
PLoS Computational Biology
Molecular Neuroscience
Evolution
Ecology
Genetics
Behavior
Molecular Biology
Systematics
Simulation
Cellular
Computational Theory
Mathematics
Modeling
Investigations on Binding Pattern of Kinase Inhibitors With PPARγ: Molecular Docking, Molecular Dynamic Simulations, and Free Energy Calculation Studies
PPAR Research
Drug Discovery
Pharmacology
