Ashutosh Kumar

Publication Activity (10 Years)

Years Active: 2012-2021
Publications (10 Years): 10

Top Topics

Shape Similarity

Grand Challenge

Similarity Metrics

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Briefings Bioinform.

J. Cheminformatics

Publications

Aditya K. Padhi, Ashutosh Kumar, Ken-ichi Haruna, Haruna Sato, Hiroko Tamura, Satoru Nagatoishi, Kouhei Tsumoto, Atushi Yamaguchi, Fumie Iraha, Mihoko Takahashi, Kensaku Sakamoto, Kam Y. J. Zhang
An integrated computational pipeline for designing high-affinity nanobodies with expanded genetic codes. Briefings Bioinform. 22 (6) (2021)
Francois Berenger, Ashutosh Kumar, Kam Y. J. Zhang, Yoshihiro Yamanishi
Lean-Docking: Exploiting Ligands' Predicted Docking Scores to Accelerate Molecular Docking. J. Chem. Inf. Model. 61 (5) (2021)
Ashutosh Kumar, Kam Y. J. Zhang
Shape similarity guided pose prediction: lessons from D3R Grand Challenge 3. J. Comput. Aided Mol. Des. 33 (1) (2019)
Ashutosh Kumar, Kam Y. J. Zhang
Improving ligand 3D shape similarity-based pose prediction with a continuum solvent model. J. Comput. Aided Mol. Des. 33 (12) (2019)
Ashutosh Kumar, Kam Y. J. Zhang
A cross docking pipeline for improving pose prediction and virtual screening performance. J. Comput. Aided Mol. Des. 32 (1) (2018)
Masaki Matsuoka, Ashutosh Kumar, Muhammad Muddassar, Akihisa Matsuyama, Minoru Yoshida, Kam Y. J. Zhang
. J. Chem. Inf. Model. 57 (2) (2017)
Ashutosh Kumar, Kam Y. J. Zhang
A pose prediction approach based on ligand 3D shape similarity. J. Comput. Aided Mol. Des. 30 (6) (2016)
Ashutosh Kumar, Kam Y. J. Zhang
Application of Shape Similarity in Pose Selection and Virtual Screening in CSARdock2014 Exercise. J. Chem. Inf. Model. 56 (6) (2016)
Xi Jiang, Ashutosh Kumar, Tian Liu, Kam Y. J. Zhang, Qing Yang
A Novel Scaffold for Developing Specific or Broad-Spectrum Chitinase Inhibitors. J. Chem. Inf. Model. 56 (12) (2016)
Ashutosh Kumar, Kam Y. J. Zhang
Prospective evaluation of shape similarity based pose prediction method in D3R Grand Challenge 2015. J. Comput. Aided Mol. Des. 30 (9) (2016)
Ashutosh Kumar, Akihiro Ito, Mikako Hirohama, Minoru Yoshida, Kam Y. J. Zhang
Identification of SUMO activating enzyme 1 inhibitors utilizing virtual screening approach. J. Cheminformatics 6 (S-1) (2014)
Arnout R. D. Voet, Ashutosh Kumar, Francois Berenger, Kam Y. J. Zhang
Combining in silico and in cerebro approaches for virtual screening and pose prediction in SAMPL4. J. Comput. Aided Mol. Des. 28 (4) (2014)
Ashutosh Kumar, Akihiro Ito, Misao Takemoto, Minoru Yoshida, Kam Y. J. Zhang
Identification of 1, 2, 5-Oxadiazoles as a New Class of SENP2 Inhibitors Using Structure Based Virtual Screening. J. Chem. Inf. Model. 54 (3) (2014)
Ashutosh Kumar, Akihiro Ito, Mikako Hirohama, Minoru Yoshida, Kam Y. J. Zhang
Identification of Sumoylation Inhibitors Targeting a Predicted Pocket in Ubc9. J. Chem. Inf. Model. 54 (10) (2014)
Ashutosh Kumar, Kam Y. J. Zhang
Investigation on the Effect of Key Water Molecules on Docking Performance in CSARdock Exercise. J. Chem. Inf. Model. 53 (8) (2013)
Ashutosh Kumar, Akihiro Ito, Mikako Hirohama, Minoru Yoshida, Kam Y. J. Zhang
Identification of Sumoylation Activating Enzyme 1 Inhibitors by Structure-Based Virtual Screening. J. Chem. Inf. Model. 53 (4) (2013)
Ashutosh Kumar, Kam Y. J. Zhang
Computational fragment-based screening using RosettaLigand: the SAMPL3 challenge. J. Comput. Aided Mol. Des. 26 (5) (2012)