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Kam Y. J. Zhang
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2020 – today
- 2022
- [j26]Rahul Kaushik
, Kam Y. J. Zhang
ProFitFun: a protein tertiary structure fitness function for quantifying the accuracies of model structures. Bioinform. 38(2): 369-376 (2022) - 2021
- [j25]Yashpal Singh Malik
Evolutionary and codon usage preference insights into spike glycoprotein of SARS-CoV-2. Briefings Bioinform. 22(2): 1006-1022 (2021) - [j24]Naveen Kumar
Insights into the evolutionary forces that shape the codon usage in the viral genome segments encoding intrinsically disordered protein regions. Briefings Bioinform. 22(5) (2021) - [j23]Aditya K. Padhi
An integrated computational pipeline for designing high-affinity nanobodies with expanded genetic codes. Briefings Bioinform. 22(6) (2021) - [j22]Francois Berenger
Lean-Docking: Exploiting Ligands' Predicted Docking Scores to Accelerate Molecular Docking. J. Chem. Inf. Model. 61(5): 2341-2352 (2021)
2010 – 2019
- 2019
- [j21]David Simoncini, Kam Y. J. Zhang, Thomas Schiex, Sophie Barbe
A structural homology approach for computational protein design with flexible backbone. Bioinform. 35(14): 2418-2426 (2019) - [j20]Ashutosh Kumar, Kam Y. J. Zhang
Shape similarity guided pose prediction: lessons from D3R Grand Challenge 3. J. Comput. Aided Mol. Des. 33(1): 47-59 (2019) - [j19]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): 1045-1055 (2019) - [j18]Francois Berenger
Chemoinformatics and structural bioinformatics in OCaml. J. Cheminformatics 11(1): 10:1-10:13 (2019) - [r1]David Simoncini, Kam Y. J. Zhang:
Population-Based Sampling and Fragment-Based De Novo Protein Structure Prediction. Encyclopedia of Bioinformatics and Computational Biology (1) 2019: 774-784 - 2018
- [j17]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): 163-173 (2018) - 2017
- [j16]Masaki Matsuoka, Ashutosh Kumar, Muhammad Muddassar, Akihisa Matsuyama, Minoru Yoshida
Discovery of Fungal Denitrification Inhibitors by Targeting Copper Nitrite Reductase from Fusarium oxysporum. J. Chem. Inf. Model. 57(2): 203-213 (2017) - [i1]Francois Berenger
Fragger: a protein fragment picker for structural queries. F1000Research 6: 1722- (2017) - 2016
- [j15]Ashutosh Kumar
A pose prediction approach based on ligand 3D shape similarity. J. Comput. Aided Mol. Des. 30(6): 457-469 (2016) - [j14]Ashutosh Kumar
Prospective evaluation of shape similarity based pose prediction method in D3R Grand Challenge 2015. J. Comput. Aided Mol. Des. 30(9): 685-693 (2016) - [j13]Ashutosh Kumar
Application of Shape Similarity in Pose Selection and Virtual Screening in CSARdock2014 Exercise. J. Chem. Inf. Model. 56(6): 965-973 (2016) - [j12]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): 2413-2420 (2016) - 2014
- [j11]Arnout R. D. Voet
Combining in silico and in cerebro approaches for virtual screening and pose prediction in SAMPL4. J. Comput. Aided Mol. Des. 28(4): 363-373 (2014) - [j10]Francois Berenger
A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening. J. Cheminformatics 6(1): 23 (2014) - [j9]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): 37 (2014) - [j8]Ashutosh Kumar, Akihiro Ito, Misao Takemoto, Minoru Yoshida
Identification of 1, 2, 5-Oxadiazoles as a New Class of SENP2 Inhibitors Using Structure Based Virtual Screening. J. Chem. Inf. Model. 54(3): 870-880 (2014) - [j7]Ashutosh Kumar, Akihiro Ito, Mikako Hirohama, Minoru Yoshida
Identification of Sumoylation Inhibitors Targeting a Predicted Pocket in Ubc9. J. Chem. Inf. Model. 54(10): 2784-2793 (2014) - 2013
- [j6]Ashutosh Kumar, Akihiro Ito, Mikako Hirohama, Minoru Yoshida
Identification of Sumoylation Activating Enzyme 1 Inhibitors by Structure-Based Virtual Screening. J. Chem. Inf. Model. 53(4): 809-820 (2013) - [j5]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): 1880-1892 (2013) - 2012
- [j4]Ashutosh Kumar, Kam Y. J. Zhang:
Computational fragment-based screening using RosettaLigand: the SAMPL3 challenge. J. Comput. Aided Mol. Des. 26(5): 603-616 (2012) - [j3]Francois Berenger
Durandal: Fast exact clustering of protein decoys. J. Comput. Chem. 33(4): 471-474 (2012) - 2011
- [j2]Francois Berenger
Entropy-accelerated exact clustering of protein decoys. Bioinform. 27(7): 939-945 (2011) - 2010
- [j1]Francois Berenger
PAR: a PARallel and distributed job crusher. Bioinform. 26(22): 2918-2919 (2010)
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