D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 60 Citations 23,292 215 World Ranking 6246 National Ranking 1987

Research.com Recognitions

Awards & Achievements

2014 - Fellow of the American Chemical Society

2013 - Fellow of American Physical Society (APS) Citation For his contribution to the development of advanced sampling techniques in molecular dynamics, and his involvement in new force fields and computer programs to model biomolecular systems

Best Publications

Comparison of multiple Amber force fields and development of improved protein backbone parameters.

Viktor Hornak;Robert Abel;Asim Okur;Bentley Strockbine.
Proteins (2006)

6580 Citations

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations.

Bill R. Miller;T. Dwight McGee;Jason M. Swails;Nadine Homeyer.
Journal of Chemical Theory and Computation (2012)

2286 Citations

ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

Justin S Smith;Olexandr Isayev;Adrian E Roitberg.
Chemical Science (2017)

1015 Citations

Pulsed terahertz spectroscopy of DNA, bovine serum albumin and collagen between 0.1 and 2.0 THz

A G. Markelz;A G. Markelz;A. E. Roitberg;Edwin J. Heilweil.
Chemical Physics Letters (2000)

910 Citations

All-Atom Structure Prediction and Folding Simulations of a Stable Protein

Carlos Simmerling;Bentley Strockbine;Adrian E. Roitberg.
Journal of the American Chemical Society (2002)

692 Citations

Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning.

Chad W. Hopkins;Scott Le Grand;Ross C. Walker;Adrian E. Roitberg.
Journal of Chemical Theory and Computation (2015)

649 Citations

Smaller and Faster: The 20-Residue Trp-Cage Protein Folds in 4 μs

Linlin Qiu;Suzette A. Pabit;Adrian E. Roitberg;Stephen J. Hagen.
Journal of the American Chemical Society (2002)

424 Citations

Current‐voltage characteristics of molecular wires: Eigenvalue staircase, Coulomb blockade, and rectification

Vladimiro Mujica;Mathieu Kemp;Adrian Roitberg;Mark Ratner.
Journal of Chemical Physics (1996)

385 Citations

Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning.

Justin S. Smith;Justin S. Smith;Benjamin T. Nebgen;Roman Zubatyuk;Roman Zubatyuk;Nicholas Lubbers.
Nature Communications (2019)

384 Citations

The injecting energy at molecule/metal interfaces: Implications for conductance of molecular junctions from an ab initio molecular description

S. N. Yaliraki;A. E. Roitberg;C. Gonzalez;V. Mujica.
Journal of Chemical Physics (1999)

377 Citations

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