Citation Impact
Citing Papers
Free energy calculations of protein–ligand interactions
2011
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
2015 Standout
Roaming Radicals
2011
Quantum chemistry simulation on quantum computers: theories and experiments
2012
Why nature really chose phosphate
2013 StandoutNobel
Simulation of Chemical Isomerization Reaction Dynamics on a NMR Quantum Simulator
2011
Quantitative exploration of the molecular origin of the activation of GTPase
2013 StandoutNobel
Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a Protein–Protein Interface
2011
A review of Ga2O3 materials, processing, and devices
2018 Standout
Quantum dynamics of the Li+HF→H+LiF reaction at ultralow temperatures
2005
Time-resolved molecular imaging
2016 StandoutNobel
MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
2012 Standout
Femtochemistry: Recent Progress in Studies of Dynamics and Control of Reactions and Their Transition States
1996 StandoutNobel
Quantum simulation
2014 Standout
Parametrized direct dynamics study of rate constants of H with CH4 from 250 to 2400 K
2002
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
2000 Standout
Addressing Open Questions about Phosphate Hydrolysis Pathways by Careful Free Energy Mapping
2012 StandoutNobel
Feshbach resonances in ultracold gases
2010 Standout
Origin of Decrease in Potency of Darunavir and Two Related Antiviral Inhibitors against HIV-2 Compared to HIV-1 Protease
2012
Quantum-instanton evaluation of the kinetic isotope effects
2005
Quantifying the Mechanism of Phosphate Monoester Hydrolysis in Aqueous Solution by Evaluating the Relevant Ab Initio QM/MM Free-Energy Surfaces
2013 StandoutNobel
An overview of the Amber biomolecular simulation package
2012 Standout
Exploring, Refining, and Validating the Paradynamics QM/MM Sampling
2012 StandoutNobel
An effective Coarse‐grained model for biological simulations: Recent refinements and validations
2013 StandoutNobel
Binding Affinities of Factor Xa Inhibitors Estimated by Thermodynamic Integration and MM/GBSA
2011
Quantum calculations of reaction probabilities for HO + CO→ H + CO2 and bound states of HOCO
1995
Quantum Scattering Calculations on Chemical Reactions
2003
Synthesis and properties of β-Ga2O3 nanostructures
2010
Permutationally invariant potential energy surfaces in high dimensionality
2009 Standout
Reaction of () + → + . A three-dimensional quantum dynamics study
1996
g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations
2014 Standout
On the efficient path integral evaluation of thermal rate constants within the quantum instanton approximation
2004
Works of Dunyou Wang being referenced
Hybrid Quantum Mechanical/Molecular Mechanics Study of the SN2 Reaction of CH3Cl+OH– in Water
2011
A computational analysis of the binding model of MDM2 with inhibitors
2010
Hybrid Quantum Mechanical and Molecular Mechanics Study of the SN2 Reaction of CCl4 + OH– in Aqueous Solution: The Potential of Mean Force, Reaction Energetics, and Rate Constants
2012
Some insights into mechanism for binding and drug resistance of wild type and I50V V82A and I84V mutations in HIV-1 protease with GRL-98065 inhibitor from molecular dynamic simulations
2009
Resonances in the O(3P)+HCl reaction due to van der Waals minima
2002
A reduced dimensionality, six-degree-of-freedom, quantum calculation of the H+CH4→H2+CH3 reaction
2001
A full dimensional, nine-degree-of-freedom, time-dependent quantum dynamics study for the H2+C2H reaction
2006
Growth of β-Ga2O3Nanorods and Photoluminescence Properties
2007
Quantum dynamics study of the reaction HD+OH→H+DOH, D+HOH
1995
Quantum dynamics study of Li + HF reaction
1997
The importance of an accurate CH4 vibrational partition function in full dimensionality calculations of the H+CH4→H2+CH3 reaction
2001
Quantum calculation of photodetachment spectrum of OH−(H2)
1997