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Tropsha

Showing results (81-90 of 278) with videos related to

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Journal of Chemical Information and Modeling|September 26, 2006
A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR modelsShuxing Zhang, Alexander Golbraikh, Scott Oloff, et al.
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing|January 1, 1996
Statistical geometry analysis of proteins: implications for inverted structure predictionA Tropsha, R K Singh, I I Vaisman, et al.
Proteins|January 26, 2012
Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening?Hao Tang, Xiang Simon Wang, Jui-Hua Hsieh, et al.
Biophysical Journal|January 10, 2012
Discrete molecular dynamics distinguishes nativelike binding poses from decoys in difficult targetsElizabeth A Proctor, Shuangye Yin, Alexander Tropsha, et al.
Proteins|July 29, 2004
Evaluation of the relative stability of liganded versus ligand-free protein conformations using Simplicial Neighborhood Analysis of Protein Packing (SNAPP) methodDouglas B Sherman, Shuxing Zhang, J Bruce Pitner, et al.
Computational Biology and Chemistry|October 15, 2013
A systems chemical biology study of malate synthase and isocitrate lyase inhibition in Mycobacterium tuberculosis during active and NRP growthElebeoba E May, Andrei Leitão, Alexander Tropsha, et al.
Current Topics in Medicinal Chemistry|May 9, 2014
Integrative approaches for predicting in vivo effects of chemicals from their structural descriptors and the results of short-term biological assaysYen Sia Low, Alexander Yeugenyevich Sedykh, Ivan Rusyn, et al.
Journal of Medicinal Chemistry|December 20, 1996
Structure-based alignment and comparative molecular field analysis of acetylcholinesterase inhibitorsS J Cho, M L Garsia, J Bier, et al.
Journal of Pharmaceutical Sciences|September 7, 2004
Quantitative structure-pharmacokinetic parameters relationships (QSPKR) analysis of antimicrobial agents in humans using simulated annealing k-nearest-neighbor and partial least-square analysis methodsChee Ng, Yunde Xiao, Wendy Putnam, et al.
Journal of Chemical Information and Modeling|March 28, 2006
Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI)Scott Oloff, Shuxing Zhang, Nagamani Sukumar, et al.
Pageof 28

Showing results (81-90 of 278) with videos related to

Sort By:
Pageof 28
Journal of Chemical Information and Modeling|September 26, 2006
A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR modelsShuxing Zhang, Alexander Golbraikh, Scott Oloff, et al.
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing|January 1, 1996
Statistical geometry analysis of proteins: implications for inverted structure predictionA Tropsha, R K Singh, I I Vaisman, et al.
Proteins|January 26, 2012
Do crystal structures obviate the need for theoretical models of GPCRs for structure-based virtual screening?Hao Tang, Xiang Simon Wang, Jui-Hua Hsieh, et al.
Biophysical Journal|January 10, 2012
Discrete molecular dynamics distinguishes nativelike binding poses from decoys in difficult targetsElizabeth A Proctor, Shuangye Yin, Alexander Tropsha, et al.
Proteins|July 29, 2004
Evaluation of the relative stability of liganded versus ligand-free protein conformations using Simplicial Neighborhood Analysis of Protein Packing (SNAPP) methodDouglas B Sherman, Shuxing Zhang, J Bruce Pitner, et al.
Computational Biology and Chemistry|October 15, 2013
A systems chemical biology study of malate synthase and isocitrate lyase inhibition in Mycobacterium tuberculosis during active and NRP growthElebeoba E May, Andrei Leitão, Alexander Tropsha, et al.
Current Topics in Medicinal Chemistry|May 9, 2014
Integrative approaches for predicting in vivo effects of chemicals from their structural descriptors and the results of short-term biological assaysYen Sia Low, Alexander Yeugenyevich Sedykh, Ivan Rusyn, et al.
Journal of Medicinal Chemistry|December 20, 1996
Structure-based alignment and comparative molecular field analysis of acetylcholinesterase inhibitorsS J Cho, M L Garsia, J Bier, et al.
Journal of Pharmaceutical Sciences|September 7, 2004
Quantitative structure-pharmacokinetic parameters relationships (QSPKR) analysis of antimicrobial agents in humans using simulated annealing k-nearest-neighbor and partial least-square analysis methodsChee Ng, Yunde Xiao, Wendy Putnam, et al.
Journal of Chemical Information and Modeling|March 28, 2006
Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI)Scott Oloff, Shuxing Zhang, Nagamani Sukumar, et al.
Pageof 28