Berk Hess
#136,388
Most Influential Person Now
Researcher ORCID ID = 0000-0002-7498-7763
Berk Hess's AcademicInfluence.com Rankings
Berk Hesschemistry Degrees
Chemistry
#3327
World Rank
#4339
Historical Rank
Physical Chemistry
#440
World Rank
#490
Historical Rank
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Chemistry
Berk Hess's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry University of California, Berkeley
Why Is Berk Hess Influential?
(Suggest an Edit or Addition)Berk Hess's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation. (2008) (13284)
- GROMACS: Fast, flexible, and free (2005) (11958)
- LINCS: A linear constraint solver for molecular simulations (1997) (11277)
- GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers (2015) (11146)
- GROMACS 3.0: a package for molecular simulation and trajectory analysis (2001) (5671)
- GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit (2013) (5669)
- P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation. (2008) (2584)
- Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models. (2010) (771)
- Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS (2015) (642)
- Determining the shear viscosity of model liquids from molecular dynamics simulations (2002) (577)
- A flexible algorithm for calculating pair interactions on SIMD architectures (2013) (462)
- Improving efficiency of large time‐scale molecular dynamics simulations of hydrogen‐rich systems (1999) (402)
- Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems (1999) (381)
- Convergence of sampling in protein simulations. (2002) (342)
- Hydration thermodynamic properties of amino acid analogues: a systematic comparison of biomolecular force fields and water models. (2006) (279)
- Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis Isomerization of the chromophore in the protein. (2004) (232)
- Cation specific binding with protein surface charges (2009) (212)
- Reproducible polypeptide folding and structure prediction using molecular dynamics simulations. (2005) (165)
- Osmotic coefficients of atomistic NaCl (aq) force fields. (2006) (139)
- Gromacs User Manual Version 4.6 (2013) (138)
- Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS (2020) (122)
- Lennard-Jones Lattice Summation in Bilayer Simulations Has Critical Effects on Surface Tension and Lipid Properties. (2013) (118)
- Analysis and evaluation of channel models: simulations of alamethicin. (2002) (117)
- Long time atomistic polymer trajectories from coarse grained simulations: bisphenol-A polycarbonate. (2006) (110)
- Modeling multibody effects in ionic solutions with a concentration dependent dielectric permittivity. (2006) (101)
- Direct-Space Corrections Enable Fast and Accurate Lorentz-Berthelot Combination Rule Lennard-Jones Lattice Summation. (2015) (87)
- Competing adsorption between hydrated peptides and water onto metal surfaces: from electronic to conformational properties. (2008) (60)
- Dynamics and structure of Ln(III)-aqua ions: a comparative molecular dynamics study using ab initio based flexible and polarizable model potentials. (2009) (56)
- 3₁₀-helix conformation facilitates the transition of a voltage sensor S4 segment toward the down state. (2011) (54)
- An application of flexible constraints in Monte Carlo simulations of the isobaric--isothermal ensemble of liquid water and ice Ih with the polarizable and flexible mobile charge densities in harmonic oscillators model. (2004) (54)
- Density functional study of ion hydration for the alkali metal ions (Li+, Na+, K+) and the halide ions (F-, Br-, Cl-). (2006) (51)
- GROMACS—the road ahead (2011) (50)
- Copernicus: A new paradigm for parallel adaptive molecular dynamics (2011) (50)
- Orientation restraints in molecular dynamics simulations using time and ensemble averaging. (2003) (48)
- Accelerated weight histogram method for exploring free energy landscapes. (2014) (46)
- Ion pairing in aqueous electrolyte solutions with biologically relevant anions. (2011) (45)
- Algorithm improvements for molecular dynamics simulations (2011) (38)
- Flexible constraints : An adiabatic treatment of quantum degrees of freedom, with application to the flexible and polarizable mobile charge densities in harmonic oscillators model for water (2002) (29)
- Sequence dependency of canonical base pair opening in the DNA double helix (2017) (28)
- Driving forces for adsorption of amphiphilic peptides to the air-water interface. (2010) (26)
- Fast-growth thermodynamic integration: Calculating excess chemical Potentials of additive molecules in polymer microstructures (2008) (26)
- Further investigation on the validity of Stokes-Einstein behaviour at the molecular level (2001) (23)
- Water–substrate physico-chemistry in wetting dynamics (2015) (22)
- Ten simple rules on how to create open access and reproducible molecular simulations of biological systems (2019) (22)
- Modeling Solubilities of Additives in Polymer Microstructures: Single-Step Perturbation Method Based on a Soft-Cavity Reference State (2008) (20)
- Permeability and ammonia selectivity in aquaporin TIP2;1: linking structure to function (2018) (20)
- Molecular dynamics study of dislocation nucleation from a crack tip (2005) (20)
- The Free Energy Barrier for Arginine Gating Charge Translation Is Altered by Mutations in the Voltage Sensor Domain (2012) (18)
- Steady moving contact line of water over a no-slip substrate (2020) (16)
- Riemann metric approach to optimal sampling of multidimensional free-energy landscapes. (2018) (16)
- Scaling of the GROMACS 4.6 molecular dynamics code on SuperMUC (2014) (16)
- Predictive Modeling of Phenol Chemical Potentials in Molten Bisphenol A−Polycarbonate over a Broad Temperature Range (2008) (14)
- Scalable Constant pH Molecular Dynamics in GROMACS (2022) (13)
- Probing microscopic material properties inside simulated membranes through spatially resolved three-dimensional local pressure fields and surface tensions. (2013) (11)
- Stability of Hydrophobically Modified Poly(p-phenylenesulfonate) Bundles As Observed by Molecular Dynamics Simulation (2007) (8)
- Stochastic concepts in molecular simulation (2002) (8)
- Solvent-averaged potentials for alkali-, earth alkali-, and alkylammonium halide aqueous solutions. (2007) (7)
- Regularizing the fast multipole method for use in molecular simulation. (2019) (6)
- Nanoscale sheared droplet: volume-of-fluid, phase-field and no-slip molecular dynamics (2021) (6)
- Chain packing in polycarbonate glasses. (2010) (4)
- On The Importance of Accurate Algorithms for Reliable Molecular Dynamics Simulations (2019) (4)
- A flexible, GPU - powered fast multipole method for realistic biomolecular simulations in Gromacs. (2017) (4)
- GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation (2020) (3)
- ScalaLife - Scalable Software Services for Life Sciences (2012) (3)
- Best Practices in Constant pH MD Simulations: Accuracy and Sampling (2022) (3)
- Interaction of water with N,N'-1,2-ethanediyl-bis(6-hydroxy-hexanamide) crystals: a simulation study. (2009) (2)
- Skin Permeability Prediction with MD Simulation Sampling Spatial and Alchemical Reaction Coordinates. (2022) (2)
- Highly Tuned Small Matrix Multiplications Applied to Spectral Element Code Nek5000 (2016) (2)
- Electrowetting diminishes contact line friction in molecular wetting (2019) (2)
- Performance Analysis and Petascaling Enabling of GROMACS (2012) (2)
- Poster: 3D tixels: a highly efficient algorithm for gpu/cpu-acceleration of molecular dynamics on heterogeneous parallel architectures (2011) (1)
- 5 Determining the shear viscosity of model liquids from molecular dynamics simulations (2002) (1)
- A comparison of the Spectral Ewald and Smooth Particle Mesh Ewald methods in GROMACS (2017) (1)
- Sampling rare biomolecular events with adaptive pulling simulations (2015) (1)
- Predictions of Skin Permeability Using Molecular Dynamics Simulation from Two-Dimensional Sampling of Spatial and Alchemical Perturbation Reaction Coordinates (2022) (1)
- Asymmetry of wetting and de-wetting on high-friction surfaces originates from the same molecular physics (2022) (0)
- Constant-Ph molecular dynamics simulations of a proton-gated ion channel (2022) (0)
- The voltage sensor deactivation barrier is altered by substitutions in the hydrophobic core (2011) (0)
- Using Lambda Dynamics to Study Protonation States of GLIC (2021) (0)
- Platform: Voltage-gated K Channels: Gating (2012) (0)
- BioExcel Webinar #52 :What's new in GROMACS 2021 (2021-02-18) (2021) (0)
- Contact line motion from molecular dynamics, the diffuse interface model and the sharp interface model (2019) (0)
- BioExcel Webinar #54: Applying the Accelerated Weight Histogram method to alchemical transformations (2021) (0)
- Phe233 in the Voltage-Sensor is Rate Limiting for Channel Closure but not for the Opening (2012) (0)
- Gromex: Electrostatics with Chemical Variability for Realistic Molecular Simulations on the Exascale (2017) (0)
- 4 Flexible constraints (2002) (0)
- Scalable Software Services for Life Science (2011) (0)
- Structural Transition from Alpha- to 3_10-Helix Reduces the Free Energy Required for S4 Translation in Kv1.2/2.1 Voltage Sensors, and F233 Appears to Responsible for the Gating Barrier (2010) (0)
- Permeability and ammonia selectivity in aquaporin TIP2;1: linking structure to function (2018) (0)
- University of Groningen Stochastic concepts in molecular simulation (2018) (0)
- Electrowetting diminishes contact line friction in dynamic wetting (2020) (0)
- Regularized FMM for MD simulations (2017) (0)
- Improved Accuracy and Performance of Lennard-Jones Lattice Summation in Gromacs (2014) (0)
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