Concepedia

Acellera (Spain)

A(

Statistics

Publications

161

Citations

7.4K

Authors

5

Location

Barcelona, Spain

Acellera (Spain) is a company institution in Barcelona, Spain known for computational chemistry, drug discovery, and molecular dynamics.

HomepageROR

Top concepts

Publications

161

P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry

Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett et al. · The Journal of Chemical Physics · 2020 · 1K citations · Full text

, , +17

HTMD: High-Throughput Molecular Dynamics for Molecular Discovery

Stefan Doerr, M J Harvey, Frank Noé et al. · Journal of Chemical Theory and Computation · 2016 · 491 citations

, , +17

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials

Peter Eastman, Raimondas Galvelis, Raúl P. Peláez et al. · The Journal of Physical Chemistry B · 2023 · 469 citations · Full text

, , +17

Shape-Based Generative Modeling for de Novo Drug Design

Miha Škalič, José Jiménez-Luna, Davide Sabbadin et al. · Journal of Chemical Information and Modeling · 2019 · 254 citations

, , +16

TorchMD: A Deep Learning Framework for Molecular Simulations

Stefan Doerr, Maciej Majewski, Adrià Pérez et al. · Journal of Chemical Theory and Computation · 2021 · 231 citations · Full text

, , +17

1–5 of 161

Authors

5

  1. RG
    Raimondas Galvelis

    Acellera (Spain), Spain

    54 publications · 3K citations

    20

    h-index

  2. CN
    Carles Navarro

    Acellera (Spain), Spain

    8 publications · 148 citations

    3

    h-index

  3. NS
    Nikolai Schapin

    Acellera (Spain), Spain

    7 publications · 68 citations

    2

    h-index

  4. MC
    Matthew Cole Schieber

    Acellera (Spain), Spain

    2 publications · 1K citations

    1

    h-index

  5. PT
    Panagiotis Tourlas

    Acellera (Spain), Spain

    14 publications · 22 citations

    1

    h-index

1–5 of 5