Timothy J. Giese
Rutgers Sexual and Reproductive Health and Rights(NL)Quantitative BioSciences(US)RIKEN Center for Integrative Medical Sciences(JP)
Publications by Year
Research Areas
Protein Structure and Dynamics, Spectroscopy and Quantum Chemical Studies, Machine Learning in Materials Science, Advanced Chemical Physics Studies, RNA and protein synthesis mechanisms
Most-Cited Works
- → AmberTools(2023)1,639 cited
- → GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features(2018)477 cited
- → Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery(2020)366 cited
- → Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/Molecular Mechanical Simulations of Chemical Reactions in Solution(2021)98 cited
- → Development of a Robust Indirect Approach for MM → QM Free Energy Calculations That Combines Force-Matched Reference Potential and Bennett’s Acceptance Ratio Methods(2019)90 cited
- → A GPU-Accelerated Parameter Interpolation Thermodynamic Integration Free Energy Method(2018)69 cited