Christian Lemmen - Publications, H-index & Citations

Christian Lemmen

enamine ltd

17H指数

45论文数

1.9K被引数

收录论文 17

发表时间

Correction: SAVI Space—combinatorial encoding of the billion-size synthetically accessible virtual inventory Correction: SAVI空间——合成可及虚拟库存十亿规模的组合编码

Scientific Data

IF6.9

2025-07-31

OAAI

Malte Korn; Philip Judson; Raphael Klein; Christian Lemmen; Marc C. Nicklaus; Matthias Rarey

Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2024-12-04

OAAI

Hoenig, Sophia M. N.; Gutermuth, Torben; Ehrt, Christiane; Lemmen, Christian; Rarey, Matthias

SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2024-03-17

OAAI

Hoenig, Sophia M. N.; Flachsenberg, Florian; Ehrt, Christiane; Neumann, Alexander; Schmidt, Robert; Lemmen, Christian; Rarey, Matthias

Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

NATURE COMMUNICATIONS

IF15.7

2022-10-28

OAAI

Beroza, Paul; Crawford, James J.; Ganichkin, Oleg; Gendelev, Leo; Harris, Seth F.; Klein, Raphael; Miu, Anh; Steinbacher, Stefan; Klingler, Franca-Maria; Lemmen, Christian

Small molecule superposition: A comprehensive overview on pose scoring of the latest methods

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2022-10-11

OAAI

Hoenig, Sophia M. N.; Lemmen, Christian; Rarey, Matthias

Analyzing structural features of proteins from deep-sea organisms 深海生物蛋白质的结构特征分析

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2022-04-05

OAAI

Sieg, Jochen; Sandmeier, Chris Claudius; Lieske, Julia; Meents, Alke; Lemmen, Christian; Streit, Wolfgang R.; Rarey, Matthias

Comparison of Large Chemical Spaces

ACS MEDICINAL CHEMISTRY LETTERS

IF4

2019-09-11

OAAI

Lessel, Uta; Lemmen, Christian

SAR by Space: Enriching Hit Sets from the Chemical Space 空间SAR: 从化学空间丰富命中集

MOLECULES

IF4.6

2019-08-26

OAAI

Klingler, Franca-Maria; Gastreich, Marcus; Grygorenko, Oleksandr O.; Savych, Olena; Borysko, Petro; Griniukova, Anastasia; Gubina, Kateryna E.; Lemmen, Christian; Moroz, Yurii S.

Discovery of Novel Histamine H4 and Serotonin Transporter Ligands Using the Topological Feature Tree Descriptor

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2011-12-28

PREAI

Kiss, Robert; Sandor, Mark; Gere, Aniko; Schmidt, Eva; Balogh, Gyoergy T.; Kiss, Bela; Molnar, Laszlo; Lemmen, Christian; Keseru, Gyoergy M.

Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2011-12-27

116

PREAI

Schneider, Nadine; Hindle, Sally; Lange, Gudrun; Klein, Robert; Albrecht, Juergen; Briem, Hans; Beyer, Kristin; Claussen, Holger; Gastreich, Marcus; Lemmen, Christian; Rarey, Matthias

Second-generation de novo design: a view from a medicinal chemist perspective

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2009-06-27

PREAI

Zaliani, Andrea; Boda, Krisztina; Seidel, Thomas; Herwig, Achim; Schwab, Christof H.; Gasteiger, Johann; Claussen, Holger; Lemmen, Christian; Degen, Joerg; Paern, Juri; Rarey, Matthias

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2008-04-02

PREAI

Boehm, Markus; Wu, Tong-Ying; Claussen, Holger; Lemmen, Christian

Novel technologies for virtual screening

DRUG DISCOVERY TODAY

IF7.5

2004-01-01

168

PREAI

Lengauer, T; Lemmen, C; Rarey, M; Zimmermann, M