Publications by authors named "Sam Z Grinter"

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Modulating the voltage sensor of a cardiac potassium channel shows antiarrhythmic effects.
Yangyang Lin, Sam Z Grinter, Zhongju Lu, Xianjin Xu, Hong Zhan Wang

Proc Natl Acad Sci U S A· May 2021

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Performance of MDockPP in CAPRI rounds 28-29 and 31-35 including the prediction of water-mediated interactions.
Xianjin Xu, Liming Qiu, Chengfei Yan, Zhiwei Ma, Sam Z Grinter

Proteins· March 2017

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Iterative Knowledge-Based Scoring Functions Derived from Rigid and Flexible Decoy Structures: Evaluation with the 2013 and 2014 CSAR Benchmarks.
Chengfei Yan, Sam Z Grinter, Benjamin Ryan Merideth, Zhiwei Ma, Xiaoqin Zou

J Chem Inf Model· June 2016

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Challenges, applications, and recent advances of protein-ligand docking in structure-based drug design.
Sam Z Grinter, Xiaoqin Zou

Molecules· July 2014

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A Bayesian statistical approach of improving knowledge-based scoring functions for protein-ligand interactions.
Sam Z Grinter, Xiaoqin Zou

J Comput Chem· May 2014

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Inclusion of the orientational entropic effect and low-resolution experimental information for protein-protein docking in Critical Assessment of PRedicted Interactions (CAPRI).
Sheng-You Huang, Chengfei Yan, Sam Z Grinter, Shan Chang, Lin Jiang

Proteins· December 2013

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Automated large-scale file preparation, docking, and scoring: evaluation of ITScore and STScore using the 2012 Community Structure-Activity Resource benchmark.
Sam Z Grinter, Chengfei Yan, Sheng-You Huang, Lin Jiang, Xiaoqin Zou

J Chem Inf Model· August 2013

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An inverse docking approach for identifying new potential anti-cancer targets.
Sam Z Grinter, Yayun Liang, Sheng-You Huang, Salman M Hyder, Xiaoqin Zou

J Mol Graph Model· April 2011

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Scoring functions and their evaluation methods for protein-ligand docking: recent advances and future directions.
Sheng-You Huang, Sam Z Grinter, Xiaoqin Zou

Phys Chem Chem Phys· October 2010

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Multiscale generalized born modeling of ligand binding energies for virtual database screening.
Hao-Yang Liu, Sam Z Grinter, Xiaoqin Zou

J Phys Chem B· September 2009

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