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Effect of N-terminal myristoylation on the active conformation of Galpha1-GTP
Online Contents | 2017| -
Predictive Determination of Band Gaps of Inorganic Halide Perovskites
American Chemical Society | 2017| -
Exploiting Coordinate Scaling Relations To Accelerate Exact Exchange Calculations
American Chemical Society | 2018| -
Effect of N‑Terminal Myristoylation on the Active Conformation of Gα i1–GTP
American Chemical Society | 2017| -
A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics Simulations
American Chemical Society | 2018| -
Redox Properties of Native and Damaged DNA from Mixed Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations
American Chemical Society | 2020| -
Describing weak interactions of biomolecules with dispersion-corrected density functional theory
National licenceRoyal Society of Chemistry | 2008| -
A multiple time step algorithm for trajectory surface hopping simulations
American Institute of Physics | 2022| -
Intricacies of Describing Weak Interactions Involving Halogen Atoms within Density Functional Theory
American Chemical Society | 2013| -
Nonadiabatic coupling vectors within linear response time-dependent density functional theory
National licenceAmerican Institute of Physics | 2009| -
Nuclear Magnetic Resonance Chemical Shifts from Hybrid DFT QM/MM Calculations
American Chemical Society | 2004| -
Surrogate Based Genetic Algorithm Method for Efficient Identification of Low-Energy Peptide Structures
Free accessAmerican Chemical Society | 2023| -
Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II Introns
American Chemical Society | 2016|
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