Area of research
Molecular Biology · Atomic and Molecular Physics, and Optics
Research interest
Research interests include Protein Structure and Dynamics, Lipid Membrane Structure and Behavior, Spectroscopy and Quantum Chemical Studies, and Crystallography and molecular interactions.
The seventh blind test of crystal structure prediction: structure generation methods
The seventh blind test of crystal structure prediction: structure ranking methods
The SAMPL4 host–guest blind prediction challenge: an overview
Quantum Mechanical Calculation of Noncovalent Interactions: A Large-Scale Evaluation of PMx, DFT, and SAPT Approaches
Bridging Calorimetry and Simulation through Precise Calculations of Cucurbituril–Guest Binding Enthalpies
Substrate Stiffness Regulates Cellular Uptake of Nanoparticles
Blind prediction of host–guest binding affinities: a new SAMPL3 challenge
Calculation of Host–Guest Binding Affinities Using a Quantum-Mechanical Energy Model