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Small molecules

Energetic Landscape of MDM2-p53 Interactions by Computational Mutagenesis of the MDM2-p53 Interaction

Kelly M. Thayer, George A. Beyer

published 18 Mar 2016

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GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential

Wenduo Chen, Youliang Zhu, Fengchao Cui, Lunyang Liu, Zhaoyan Sun, Jizhong Chen, Yunqi Li

published 17 Mar 2016

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NK Cells Respond to Haptens by the Activation of Calcium Permeable Plasma Membrane Channels

Camille Grandclément, Horst Pick, Horst Vogel, Werner Held

published 10 Mar 2016

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A New Application of Parallel Synthesis Strategy for Discovery of Amide-Linked Small Molecules as Potent Chondroprotective Agents in TNF-α-Stimulated Chondrocytes

Chia-Chung Lee, Yang Lo, Ling-Jun Ho, Jenn-Haung Lai, Shiu-Bii Lien, Leou-Chyr Lin, Chun-Liang Chen, Tsung-Chih Chen, Feng-Cheng Liu, Hsu-Shan Huang

published 10 Mar 2016

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Zinc Chloride Transiently Maintains Mouse Embryonic Stem Cell Pluripotency by Activating Stat3 Signaling

Jing Hu, Zhiyong Yang, Jinbo Wang, Jia Yu, Jing Guo, Shiying Liu, Chunmei Qian, Liwen Song, Yi Wu, Jiajing Cheng

published 24 Feb 2016

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Energetics of Transport through the Nuclear Pore Complex

Ali Ghavami, Erik van der Giessen, Patrick R. Onck

published 19 Feb 2016

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Identification of a Small Molecule Inhibitor of RAD52 by Structure-Based Selection

Katherine Sullivan, Kimberly Cramer-Morales, Daniel L. McElroy, David A. Ostrov, Kimberly Haas, Wayne Childers, Robert Hromas, Tomasz Skorski

published 19 Jan 2016

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Conformational Sampling and Binding Site Assessment of Suppression of Tumorigenicity 2 Ectodomain

Chao-Yie Yang, James Delproposto, Krishnapriya Chinnaswamy, William Clay Brown, Shuying Wang, Jeanne A. Stuckey, Xinquan Wang

published 06 Jan 2016

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High-Throughput Screening of Myometrial Calcium-Mobilization to Identify Modulators of Uterine Contractility

Jennifer L. Herington, Daniel R. Swale, Naoko Brown, Elaine L. Shelton, Hyehun Choi, Charles H. Williams, Charles C. Hong, Bibhash C. Paria, Jerod S. Denton, Jeff Reese

published 24 Nov 2015

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Effects of Small Molecule Calcium-Activated Chloride Channel Inhibitors on Structure and Function of Accessory Cholera Enterotoxin (Ace) of Vibrio cholerae

Tanaya Chatterjee, Irshad Ali Sheikh, Devlina Chakravarty, Pinak Chakrabarti, Paramita Sarkar, Tultul Saha, Manoj K. Chakrabarti, Kazi Mirajul Hoque

published 05 Nov 2015

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Composition of Overlapping Protein-Protein and Protein-Ligand Interfaces

Ruzianisra Mohamed, Jennifer Degac, Volkhard Helms

published 30 Oct 2015

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A Nano-MgO and Ionic Liquid-Catalyzed ‘Green’ Synthesis Protocol for the Development of Adamantyl-Imidazolo-Thiadiazoles as Anti-Tuberculosis Agents Targeting Sterol 14α-Demethylase (CYP51)

Sebastian Anusha, Baburajeev CP, Chakrabhavi Dhananjaya Mohan, Jessin Mathai, Shobith Rangappa, Surender Mohan, Chandra, Shardul Paricharak, Lewis Mervin, Julian E. Fuchs, Mahedra M, Andreas Bender, Basappa, Kanchugarakoppal S. Rangappa

published 15 Oct 2015

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Investigating Apoptozole as a Chemical Probe for HSP70 Inhibition

Lindsay E. Evans, Matthew D. Cheeseman, Norhakim Yahya, Keith Jones

published 12 Oct 2015

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