Ariën S. Rustenburg - Publications, H-index & Citations

Ariën S. Rustenburg

Memorial Sloan Kettering Cancer Center

11H指数

29论文数

1.5K被引数

收录论文 8

发表时间

Overview of the SAMPL6 pKa challenge: evaluating small molecule microscopic and macroscopic pKa predictions Sample6 pKa挑战概述: 评估小分子微观和宏观pKa预测

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2021-01-04

OAAI

Isik, Mehtap; Rustenburg, Arien S.; Rizzi, Andrea; Gunner, M. R.; Mobley, David L.; Chodera, John D.

Standard state free energies, not pKas, are ideal for describing small molecule protonation and tautomeric states

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2020-02-12

OAAI

Gunner, M. R.; Murakami, Taichi; Rustenburg, Arien S.; Isik, Mehtap; Chodera, John D.

pKameasurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2018-11-07

OAAI

Isik, Mehtap; Levorse, Dorothy; Rustenburg, Arien S.; Ndukwe, Ikenna E.; Wang, Heather; Wang, Xiao; Reibarkh, Mikhail; Martin, Gary E.; Makarov, Alexey A.; Mobley, David L.; Rhodes, Timothy; Chodera, John D.

L-2-Hydroxyglutarate production arises from noncanonical enzyme function at acidic pH

NATURE CHEMICAL BIOLOGY

IF13.7

2017-03-06

215

OAAI

Intlekofer, Andrew M.; Wang, Bo; Liu, Hui; Shah, Hardik; Carmona-Fontaine, Carlos; Rustenburg, Arien S.; Salah, Salah; Gunner, M. R.; Chodera, John D.; Cross, Justin R.; Thompson, Craig B.

Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2016-10-07

OAAI

Rustenburg, Arien S.; Dancer, Justin; Lin, Baiwei; Feng, Jianwen A.; Ortwine, Daniel F.; Mobley, David L.; Chodera, John D.

Stereochemistry matters: L-2HG as a tumor response to hypoxia

CANCER RESEARCH

IF16.6

2015-08-01

PREAI

Thompson, Craig B.; Intlekofer, Andrew M.; Dematteo, Raymond G.; Venneti, Sriram; Finley, Lydia W. S.; Lu, Chao; Rustenburg, Arien S.; Grinaway, Patrick B.; Chodera, John D.; Cross, Justin R.; Judkins, Alexander R.

Developing High-Throughput Fluorescence-Based Assays for Measuring Kinase Inhibitor Free Energies of Binding

BIOPHYSICAL JOURNAL

IF3.1

2015-01-01

OAAI

Hanson, Sonya M.; Prinz, Jan-Hendrik; Behr, Julie M.; Grinaway, Patrick B.; Rustenburg, Arien S.; Beauchamp, Kyle A.; Parton, Daniel L.; Chodera, John D.

Benchmarking and Optimizing Atomistic Forcefields with Density Measurements

BIOPHYSICAL JOURNAL

IF3.1

2015-01-01

OAAI

Beauchamp, Kyle A.; Behr, Julie M.; Grinaway, Patrick B.; Rustenburg, Arien S.; Chodera, John D.

研究方向