Concepedia

Current developments of computer-aided drug design

Hung-Jin Huang, Hsin Wei Yu, Chien‐Yu Chen, Chien‐Yu Chen, Chih-Ho Hsu, Hsin‐Yi Chen, Kuei-Jen Lee, Fuu‐Jen Tsai, Calvin Yu‐Chian Chen, Calvin Yu‐Chian Chen

Journal of the Taiwan Institute of Chemical Engineers · 2010 · 143 citations · 52 references

DOI

Concepts

References

52

Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients

M. C. Payne, M. P. Teter, D. C. Allan et al. · Reviews of Modern Physics · 1992 · 9.6K citations

, , +16

Calculating Structures and Free Energies of Complex Molecules:  Combining Molecular Mechanics and Continuum Models

Peter A. Kollman, Irina Massova, Carolina Reyes et al. · Accounts of Chemical Research · 2000 · 4.9K citations

, , +17

Assessment of protein models with three-dimensional profiles

Roland Lüthy, James U. Bowie, David Eisenberg · Nature · 1992 · 3.5K citations

, , +10

Recognition of errors in three‐dimensional structures of proteins

Manfred J. Sippl · Proteins Structure Function and Bioinformatics · 1993 · 2.2K citations

, , +16

Dynamics of folded proteins

J. Andrew McCammon, Bruce R. Gelin, Martin Karplus · Nature · 1977 · 2K citations

, , +12