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Computational study on the drug resistance mechanism of hepatitis C virus NS5B RNA-dependent RNA polymerase mutants to BMS-791325 by molecular dynamics simulation and binding free energy calculations [会议论文]
15th Conference on Chemometrics in Analytical Chemistry, Changsha, PEOPLES R CHINA, JUN 22-26, 2015
Pan, DB;  Niu, YZ;  Xue, WW;  Bai, QF;  Liu, HX;  Yao, XJ(姚小军)
Collaborative QSAR analysis of Ames mutagenicity [会议论文]
241st National Meeting and Exposition of the American-Chemical-Society (ACS), Anaheim, CA, MAR 27-31, 2011
Muratov, E;  Fourches, D;  Artemenko, A;  Kuz'min, V;  Zhao, GY;  Golbraikh, A;  Polischuk, P;  Varlamova, E;  Baskin, I;  Palyulin, V;  Zefirov, N;  Li, JZ;  Gramatica, P;  Martin, T;  Hormozdiari, F;  Dao, P;  Sahinalp, C;  Cherkasov, A;  Oberg, T;  Todeschini, R;  Poroikov, V;  Zaharov, A;  Lagunin, A;  Filimonov, D;  Varnek, A;  Horvath, D;  Marcou, G;  Muller, C;  Xi, LL;  Liu, HX;  Yao, XJ(姚小军);  Hansen, K;  Schroeter, T;  Muller, KR;  Tetko, I;  Sushko, I;  Novotarskyi, S;  Baker, N;  Reed, J;  Barnes, J;  Tropsha, A
Quantitative structure-toxicity relationships (QSTRs): A comparative study of various non linear methods. General regression neural network, radial basis function neural network and support vector machine in predicting toxicity of nitro- and cyano- aromatics to Tetrahymena pyriformis [会议论文]
Conference on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Shanghai, PEOPLES R CHINA, OCT 29-NOV 01, 2005
Panaye, A;  Fan, BT;  Doucet, JP;  Yao, XJ(姚小军);  Zhang, RS(张瑞生);  Liu, MC;  Hu, ZD(胡之德)
Quantitative structure property relationship models for the prediction of liquid heat capacity [会议论文]
10th International Workshop on Quantitative Structure-Activity Relationships in Environmental Sciences (QSAR 2002), OTTAWA, CANADA, MAY 25-29, 2002
Yao, XJ(姚小军);  Fan, BT;  Doucet, JP;  Panaye, A;  Liu, MC;  Zhang, RS(张瑞生);  Zhang, XY(张晓昀);  Hu, ZD(胡之德)



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