Christine Humblet - Publications, H-index & Citations

Christine Humblet

pfizer usa

39H指数

107论文数

8.3K被引数

收录论文 27

发表时间

Idea2Data: Toward a New Paradigm for Drug Discovery

ACS MEDICINAL CHEMISTRY LETTERS

IF4

2019-02-04

OAAI

Nicolaou, Christos A.; Humblet, Christine; Hu, Hong; Martin, Eva M.; Dorsey, Frank C.; Castle, Thomas M.; Burton, Keith Ian; Hu, Haitao; Hendle, Jorg; Hickey, Michael J.; Duerksen, Joel; Wang, Jibo; Erickson, Jon A.

Biased retrieval of chemical series in receptor-based virtual screening

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2010-10-30

PREAI

Brooijmans, Natasja; Cross, Jason B.; Humblet, Christine

Chemical Space Sampling in Virtual Screening by Different Crystal Structures

CHEMICAL BIOLOGY & DRUG DESIGN

IF3.3

2010-10-19

OAAI

Brooijmans, Natasja; Humblet, Christine

A Protein Relational Database and Protein Family Knowledge Bases to Facilitate Structure-Based Design Analyses 蛋白质关系数据库和蛋白质家族知识库，以促进基于结构的设计分析

CHEMICAL BIOLOGY & DRUG DESIGN

IF3.3

2010-07-09

OAAI

Mobilio, Dominick; Walker, Gary; Brooijmans, Natasja; Nilakantan, Ramaswamy; Denny, R. Aldrin; DeJoannis, Jason; Feyfant, Eric; Kowticwar, Rupesh K.; Mankala, Jyoti; Palli, Satish; Punyamantula, Sairam; Tatipally, Maneesh; John, Reji K.; Humblet, Christine

Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2010-05-18

PREAI

Fan, Yi; Unwalla, Rayomand; Denny, Rajiah A.; Di, Li; Kerns, Edward H.; Diller, David J.; Humblet, Christine

Computational alanine scanning with linear scaling semiempirical quantum mechanical methods 用线性标度半经验量子力学方法计算丙氨酸扫描

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2010-05-13

OAAI

Diller, David J.; Humblet, Christine; Zhang, Xiaohua; Westerhoff, Lance M.

Chemical space sampling by different scoring functions and crystal structures

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2010-04-18

PREAI

Brooijmans, Natasja; Humblet, Christine

Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2010-04-02

PREAI

Unwalla, Rayomand J.; Cross, Jason B.; Salaniwal, Sumeet; Shilling, Adam D.; Leung, Louis; Kao, John; Humblet, Christine

A structural informatics approach to mine kinase knowledge bases

DRUG DISCOVERY TODAY

IF7.5

2010-03-01

PREAI

Brooijmans, Natasja; Mobilio, Dominick; Walker, Gary; Nilakantan, Ramaswamy; Denny, Rajiah A.; Feyfant, Eric; Diller, David; Bikker, Jack; Humblet, Christine

Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stability

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2009-11-24

PREAI

Hu, Yongbo; Unwalla, Ray; Denny, R. Aldrin; Bikker, Jack; Di, Li; Humblet, Christine

Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2009-10-14

3.2K

PREAI

Lovering, Frank; Bikker, Jack; Humblet, Christine

Modeling G protein-coupled receptors for structure-based drug discovery using low-frequency normal modes for refinement of homology models: Application to H3 antagonists

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2009-09-28

PREAI

Rai, Brajesh K.; Tawa, Gregory J.; Katz, Alan H.; Humblet, Christine

Computation of 3D queries for ROCS based virtual screens

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2009-09-26

PREAI

Tawa, Gregory J.; Baber, J. Christian; Humblet, Christine

GARD: A Generally Applicable Replacement for RMSD

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2009-07-20

PREAI

Baber, J. Christian; Thompson, David C.; Cross, Jason B.; Humblet, Christine

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2009-05-28

404

PREAI

Cross, Jason B.; Thompson, David C.; Rai, Brajesh K.; Baber, J. Christian; Fan, Kristi Yi; Hu, Yongbo; Humblet, Christine

CONFIRM: connecting fragments found in receptor molecules

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2008-07-09

PREAI

Thompson, David C.; Denny, R. Aldrin; Nilakantan, Ramaswamy; Humblet, Christine; Joseph-McCarthy, Diane; Feyfant, Eric

Investigation of MM-PBSA rescoring of docking poses

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2008-05-09

119

PREAI

Thompson, David C.; Humblet, Christine; Joseph-McCarthy, Diane

RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test case

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2006-09-28

PREAI

Beckman, Robert A.; Moreland, David; Louise-May, Shirley; Humblet, Christine

A NOVEL NONPEPTIDE HIV-1 PROTEASE INHIBITOR - ELUCIDATION OF THE BINDING MODE AND ITS APPLICATION IN THE DESIGN OF RELATED ANALOGS

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2002-05-01

102

PREAI

LUNNEY, EA; HAGEN, SE; DOMAGALA, JM; HUMBLET, C; KOSINSKI, J; TAIT, BD; WARMUS, JS; WILSON, M; FERGUSON, D; HUPE, D; TUMMINO, PJ; BALDWIN, ET; BHAT, TN; LIU, BS; ERICKSON, JW

Structure-based design of nonpeptide inhibitors of interleukin-1β converting enzyme (ICE, caspase-1)

BIOORGANIC & MEDICINAL CHEMISTRY

IF3

2002-01-01

PREAI

Shahripour, AB; Plummer, MS; Lunney, EA; Albrecht, HP; Hays, SJ; Kostlan, CR; Sawyer, TK; Walker, NPC; Brady, KD; Allen, HJ; Talanian, RV; Wong, WW; Humblet, C

研究方向