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gWEGA: GPU‐accelerated WEGA for molecular superposition and shape comparison |
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| Authors: | Xin Yan Jiabo Li Qiong Gu Jun Xu |
| Institution: | 1. Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat‐sen University, Guangdong, China;2. SciNet Technologies, San Diego, California;3. Schr?dinger, Inc, New York, New York |
| Abstract: | |
| Keywords: | graphic processing unit molecular superimposing virtual screening drug discovery algorithm |