Ingo Muegge - Publications, H-index & Citations

Ingo Muegge

Boehringer Ingelheim

34H指数

86论文数

6.5K被引数

收录论文 37

发表时间

How does machine learning augment alchemical binding free energy calculations?

FUTURE MEDICINAL CHEMISTRY

IF3.4

2025-02-08

PREAI

Muegge, Ingo; Ge, Yunhui

Perspectives on current approaches to virtual screening in drug discovery 当前药物发现中虚拟筛选方法的观点

EXPERT OPINION ON DRUG DISCOVERY

IF4.9

2024-08-12

PREAI

Muegge, Ingo; Bentzien, Jorg; Ge, Yunhui

Recent Advances in Alchemical Binding Free Energy Calculations for Drug Discovery

ACS MEDICINAL CHEMISTRY LETTERS

IF4

2023-02-16

PREAI

Muegge, Ingo; Hu, Yuan

How do we further enhance 2D fingerprint similarity searching for novel drug discovery?

EXPERT OPINION ON DRUG DISCOVERY

IF4.9

2022-09-27

PREAI

Muegge, Ingo; Hu, Yuan

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding CACHE (计算命中发现实验的关键评估): 一项公私合作伙伴关系基准计划，旨在开发命中发现的计算方法

NATURE REVIEWS CHEMISTRY

IF51.7

2022-02-15

OAAI

Ackloo, Suzanne; Al-awar, Rima; Amaro, Rommie E.; Arrowsmith, Cheryl H.; Azevedo, Hatylas; Batey, Robert A.; Bengio, Yoshua; Betz, Ulrich A. K.; Bologa, Cristian G.; Chodera, John D.; Cornell, Wendy D.; Dunham, Ian; Ecker, Gerhard F.; Edfeldt, Kristina; Edwards, Aled M.; Gilson, Michael K.; Gordijo, Claudia R.; Hessler, Gerhard; Hillisch, Alexander; Hogner, Anders; Irwin, John J.; Jansen, Johanna M.; Kuhn, Daniel; Leach, Andrew R.; Lee, Alpha A.; Lessel, Uta; Morgan, Maxwell R.; Moult, John; Muegge, Ingo; Oprea, Tudor, I; Perry, Benjamin G.; Riley, Patrick; Rousseaux, Sophie A. L.; Saikatendu, Kumar Singh; Santhakumar, Vijayaratnam; Schapira, Matthieu; Scholten, Cora; Todd, Matthew H.; Vedadi, Masoud; Volkamer, Andrea; Willson, Timothy M.

Indole Inhibitors of MMP-13 for Arthritic Disorders

ACS OMEGA

IF4.3

2021-07-19

OAAI

Taylor, Steven J.; Abeywardane, Asitha; Liang, Shuang; Xiong, Zhaoming; Proudfoot, John R.; Farmer, Bennett Sandy; Gao, Donghong A.; Heim-Riether, Alexander; Smith-Keenan, Lana Louise; Muegge, Ingo; Yu, Yang; Zhang, Qiang; Souza, Donald; Panzenbeck, Mark; Goldberg, Daniel; Hill-Drzewi, Melissa; Margarit, Mariana; Collins, Brandon; Li, John Xiang; Zuvela-Jelaska, Ljiljana; Li, Jun; Farrow, Neil A.

In Silico Models of Human PK Parameters. Prediction of Volume of Distribution Using an Extensive Data Set and a Reduced Number of Parameters

JOURNAL OF PHARMACEUTICAL SCIENCES

IF3.8

2021-01-01

PREAI

Lombardo, Franco; Bentzien, Jorg; Berellini, Giuliano; Muegge, Ingo

Positional Analogue Scanning: An Effective Strategy for Multiparameter Optimization in Drug Design

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2020-04-24

PREAI

Pennington, Lewis D.; Aquila, Brian M.; Choi, Younggi; Valiulin, Roman A.; Muegge, Ingo

Kinase Crystal Miner: A Powerful Approach to Repurposing 3D Hinge Binding Fragments and Its Application to Finding Novel Bruton Tyrosine Kinase Inhibitors

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2017-08-28

PREAI

Mukherjee, Prasenjit; Bentzien, Jorg; Bosanac, Todd; Mao, Wang; Burke, Michael; Muegge, Ingo

Structural studies unravel the active conformation of apo RORγt nuclear receptor and a common inverse agonism of two diverse classes of RORγt inhibitors

JOURNAL OF BIOLOGICAL CHEMISTRY

IF3.9

2017-07-01

OAAI

Li, Xiang; Anderson, Marie; Collin, Delphine; Muegge, Ingo; Wan, John; Brennan, Debra; Kugler, Stanley; Terenzio, Donna; Kennedy, Charles; Lin, Siqi; Labadia, Mark E.; Cook, Brian; Hughes, Robert; Farrow, Neil A.

Performance of Dark Chemical Matter in High Throughput Screening

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2016-10-28

PREAI

Muegge, Ingo; Mukherjee, Prasenjit

Computer-aided drug design at Boehringer Ingelheim

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2016-09-20

PREAI

Muegge, Ingo; Bergner, Andreas; Kriegl, Jan M.

Automatically updating predictive modeling workflows support decision-making in drug design

FUTURE MEDICINAL CHEMISTRY

IF3.4

2016-09-01

PREAI

Muegge, Ingo; Bentzien, Jorg; Mukherjee, Prasenjit; Hughes, Robert O.

An overview of molecular fingerprint similarity search in virtual screening

EXPERT OPINION ON DRUG DISCOVERY

IF4.9

2015-12-04

177

PREAI

Muegge, Ingo; Mukherjee, Prasenjit

Fragment-Based Discovery of Indole Inhibitors of Matrix Metalloproteinase-13 (vol 54, pg 8174, 2011)

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2015-07-27

PREAI

Taylor, Steven J.; Abeywardane, Asitha; Liang, Shuang; Muegge, Ingo; Padyana, Anil K.; Xiong, Zhaoming; Hill-Drzewi, Melissa; Farmer, Bennett; Li, Xiang; Collins, Brandon; Li, John Xiang; Heim-Riether, Alexander; Proudfoot, John; Zhang, Qiang; Goldberg, Daniel; Zuvela-Jelaska, Ljiljana; Zaher, Hani; Li, Jun; Farrow, Neil A.

3D virtual screening of large combinatorial spaces

METHODS

IF4.3

2015-01-01

PREAI

Muegge, Ingo; Zhang, Qiang

Crowd computing: using competitive dynamics to develop and refine highly predictive models

DRUG DISCOVERY TODAY

IF7.5

2013-05-01

PREAI

Bentzien, Joerg; Muegge, Ingo; Hamner, Ben; Thompson, David C.

DemQSAR: predicting human volume of distribution and clearance of drugs

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2011-11-20

PREAI

Demir-Kavuk, Ozgur; Bentzien, Joerg; Muegge, Ingo; Knapp, Ernst-Walter

Fragment-Based Discovery of Indole Inhibitors of Matrix Metalloproteinase-13

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2011-11-09

PREAI

Structure-Based Optimization of Arylamides as Inhibitors of Soluble Epoxide Hydrolase

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2009-09-11

PREAI

Eldrup, Anne B.; Soleymanzadeh, Fariba; Taylor, Steven J.; Muegge, Ingo; Farrow, Neil A.; Joseph, David; McKellop, Keith; Man, Chuk C.; Kukulka, Alison; De Lombaert, Stephane

研究方向