Leaderboards/computational drug discovery methods

computational drug discovery methods

Last updated June 11, 2026

Rising Stars

New and hot

Rising Stars Researchers

1
Frank DiMaio
University of Washington
90
2
Geoffrey I. Webb
Monash University
50
3
Jens Carlsson
Uppsala University
30
4
Shantanu Singh
Broad Institute
10

Rising Stars Papers

Insufficient data

Emerging Leaders

Gaining momentum

Emerging Leaders Researchers

1
Wei Lu
Huawei Technologies (China)
99
2
Guangfeng Zhou
University of Washington
99
3
Zhuoran Qiao
California Institute of Technology
90
4
Shuhao Zhang
Los Alamos National Laboratory
80
5
Lei Huang
City University of Hong Kong
70
6
Masha Karelina
Stanford University
60
7
Huan Yee Koh
Monash University
60
8
Yuanyuan Jiang
Sichuan University
50
9
Andreas Luttens
Broad Institute
40
10
Han Li
Tsinghua University
40

Emerging Leaders Papers

Insufficient data

All-Time Leaders

The canon

All-Time Leaders Researchers

1
Vincent Zoete
SIB Swiss Institute of Bioinformatics
99
2
Hua Li
Shenyang Pharmaceutical University
90
3
Yuanqi Du
Cornell University
80
4
Laura I. Furlong
Universitat Pompeu Fabra
80
5
Tom L. Blundell
University of Cambridge
70
6
Elif Özkırımlı
Boğaziçi University
70
7
Robert Abel
Schrodinger (United States)
60
8
Olivier Michielin
SIB Swiss Institute of Bioinformatics
50
9
Stefan Grimme
University of Bonn
40
10
László Urbán
University of Debrecen
30

All-Time Leaders Papers

1
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Scientific Reports|2017
16.7k cit.
2
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
Physical Chemistry Chemical Physics|2017
1.9k cit.
3
Extended <scp>tight‐binding</scp> quantum chemistry methods
Wiley Interdisciplinary Reviews Computational Molecular Science|2020
1.5k cit.
4
DisGeNET: a discovery platform for the dynamical exploration of human diseases and their genes
Database|2015
1.2k cit.
5
Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**
Angewandte Chemie|2022
225 cit.
6
Postischemic synaptic physiology in area CA1 of the gerbil hippocampus studied in vitro
Journal of Neuroscience|1989
126 cit.
7
OIP5, a target of miR-15b-5p, regulates hepatocellular carcinoma growth and metastasis through the AKT/mTORC1 and β-catenin signaling pathways
Oncotarget|2017
47 cit.
8
Insulin‐like growth factor‐I receptor blockade reduces tumor angiogenesis and enhances the effects of bevacizumab for a human gastric cancer cell line, MKN45
Cancer|2011
43 cit.
9
Real-time vehicle target detection in inclement weather conditions based on YOLOv4
Frontiers in Neurorobotics|2023
30 cit.
10
Proton pump inhibitor ilaprazole suppresses cancer growth by targeting T-cell-originated protein kinase
Oncotarget|2017
28 cit.

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