Journal of Chemical Information and Modeling

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Computational Study of Drug Binding Affinity to Influenza A Neuraminidase Using Smooth Reaction Path Generation (SRPG) Method
Journal of Chemical Information and Modeling - Tập 55 Số 9 - Trang 1936-1943 - 2015
Hung Van Nguyen, Tien Tran, Yoshifumi Fukunishi, Junichi Higo, Haruki Nakamura, Ly Le
Theoretical Prediction of Hydrogen Bond Strength for Use in Molecular Modeling
Journal of Chemical Information and Modeling - Tập 49 Số 9 - Trang 2067-2076 - 2009
Nocker Monika, Sandra Handschuh, Christofer S. Tautermann, Klaus R. Liedl
Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS
Journal of Chemical Information and Modeling - Tập 49 Số 1 - Trang 84-96 - 2009
Oliver Korb, Thomas Stützle, Thomas E. Exner
CAESAR: A New Conformer Generation Algorithm Based on Recursive Buildup and Local Rotational Symmetry Consideration
Journal of Chemical Information and Modeling - Tập 47 Số 5 - Trang 1923-1932 - 2007
Jiabo Li, Tedman Ehlers, Jon M. Sutter, Shikha Varma‐O'Brien, Johannes Kirchmair
Insight into the Interaction Mechanism of Nicotine, NNK, and NNN with Cytochrome P450 2A13 Based on Molecular Dynamics Simulation
Journal of Chemical Information and Modeling - Tập 60 Số 2 - Trang 766-776 - 2020
Jorddy Neves Cruz, Mozaniel Santana de Oliveira, Sebastião Gomes Silva, A. P. da S. Souza Filho, Daniel S. Pereira, Anderson Henrique Lima e Lima, Eloísa Helena de Aguiar Andrade
Puckering Coordinates of Monocyclic Rings by Triangular Decomposition
Journal of Chemical Information and Modeling - Tập 47 Số 3 - Trang 1031-1035 - 2007
Anthony D. Hill, Peter J. Reilly
Modified Ant Colony Optimization Algorithm for Variable Selection in QSAR Modeling: QSAR Studies of Cyclooxygenase Inhibitors
Journal of Chemical Information and Modeling - Tập 45 Số 4 - Trang 1024-1029 - 2005
Qi Shen, Jian‐Hui Jiang, Jing‐chao Tao, Guo‐Li Shen, Ru‐Qin Yu
External Validation and Prediction Employing the Predictive Squared Correlation Coefficient — Test Set Activity Mean vs Training Set Activity Mean
Journal of Chemical Information and Modeling - Tập 48 Số 11 - Trang 2140-2145 - 2008
Gerrit Schüürmann, Ralf‐Uwe Ebert, Jingwen Chen, Bin Wang, Ralph Kühne
TMACC: Interpretable Correlation Descriptors for Quantitative Structure−Activity Relationships
Journal of Chemical Information and Modeling - Tập 47 Số 2 - Trang 626-634 - 2007
James L. Melville, Jonathan D. Hirst
An Analytical, Variable Resolution, Complete Description of Static Molecules and Their Intermolecular Binding Properties
Journal of Chemical Information and Modeling - Tập 45 Số 4 - Trang 1010-1016 - 2005
Jr-Hung Lin, Timothy Clark
Tổng số: 89   
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