Concepedia

Molecular Docking Evolution

Molecular Docking Evolution is a computational framework that models the historical trajectory of protein–protein interaction interfaces by iteratively simulating structural docking conformations over evolutionary time to infer ancestral and derived binding modes.

8

Publications

274

Citations

54

Authors

21

Institutions

Publications per year

2017–2026

6

Parents

Publications

8

KnowVolution of a Fungal Laccase toward Alkaline pH

Catalina Novoa, Gaurao V. Dhoke, Diana M. Maté et al. · ChemBioChem · 2019 · 64 citations

, , +17

Beta-Sitosterol: As Immunostimulant, Antioxidant and Inhibitor of SARS-CoV-2 Spike Glycoprotein

Sharuk L. Khan, Falak A. Siddiqui · Archives of Pharmacology and Therapeutics · 2020 · 48 citations · Full text

, , +9

Scoring docking models with evolutionary information

Michael L. Tress, David Juan, Osvaldo Graña‐Castro et al. · Proteins Structure Function and Bioinformatics · 2005 · 46 citations · Full text

, , +15

Investigation of nonsynonymous mutations in the spike protein of SARS-CoV-2 and its interaction with the ACE2 receptor by molecular docking and MM/GBSA approach

Reem AlJindan, Abeer M. Al‐Subaie, Ahoud I. Al-Ohali et al. · Computers in Biology and Medicine · 2021 · 46 citations · Full text

, , +17

An integrated approach of bioassay and molecular docking to study the dihydroxylation mechanism of pyrene by naphthalene dioxygenase in Rhodococcus sp. ustb-1

Jingnan Jin, Jun Yao, Qing-Ye Zhang et al. · Chemosphere · 2015 · 27 citations

, , +11

1–5 of 8

Authors

54

  1. AV
    Alfonso Valencia

    Spanish National Cancer Research Centre, Spain

    1 publications · 46 citations

    1

    h-index

  2. GV
    Gaurao V. Dhoke

    RWTH Aachen University, Germany

    1 publications · 64 citations

    1

    h-index

  3. WL
    Wenlin Li

    Nanjing University of Chinese Medicine, China

    1 publications · 13 citations

    1

    h-index

  4. CY
    Chan Yu

    Huazhong Agricultural University, China

    1 publications · 27 citations

    1

    h-index

  5. AM
    Abeer M. Al‐Subaie

    Imam Abdulrahman Bin Faisal University, Saudi Arabia

    1 publications · 46 citations

    1

    h-index

1–5 of 54

Institutions

21

  1. Huazhong Agricultural University

    Wuhan, China

    1 h-index

    1 publications

    27 citations

  2. Imam Abdulrahman Bin Faisal University

    Dammam, Saudi Arabia

    1 h-index

    4 publications

    184 citations

  3. Meenakshi Academy of Higher Education and Research

    Chennai, India

    1 h-index

    1 publications

    46 citations

  4. China University of Geosciences

    Wuhan, China

    1 h-index

    1 publications

    27 citations

  5. Czech University of Life Sciences Prague

    Prague, Czechia

    1 h-index

    1 publications

    16 citations

  6. Sichuan Agricultural University

    Ya'an, China

    1 h-index

    2 publications

    28 citations

  7. Ramakrishna Mission Vidyamandira

    Howrah, India

    1 h-index

    1 publications

    16 citations

  8. RWTH Aachen University

    Aachen, Germany

    1 h-index

    5 publications

    320 citations

1–8 of 21

Venues

  1. Computers in Biology and Medicine

    1 publications · 46 citations

    1

    h-index

  2. Chemosphere

    1 publications · 27 citations

    1

    h-index

  3. 1

    h-index

  4. Oxidative Medicine and Cellular Longevity

    1 publications · 13 citations

    1

    h-index

  5. ChemBioChem

    1 publications · 64 citations

    1

    h-index

1–5