Exploration of acyl sulfonamides as carboxylic acid replacements in protease inhibitors of the hepatitis C virus full-length NS3

<b>Solid Phase Peptide Synthesis. I. The Synthesis of a Tetrapeptide</b>

R. B. Merrifield · Journal of the American Chemical Society · 1963 · 7.6K citations

Natural Sciences, Biochemistry, Chemistry +6

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Johann Gasteiger, Mario Marsili · Tetrahedron · 1980 · 4.1K citations

Natural Sciences, Chemistry, Physics +10

A new approach to variable metric algorithms

R. Fletcher · The Computer Journal · 1970 · 4.1K citations · Full text

Computing, Computer Science, Algorithms +10

Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics

F. MOHAMADI, Nigel G. J. Richards, Wayne C. Guida et al. · Journal of Computational Chemistry · 1990 · 3.8K citations

Natural Sciences, Chemistry, Biomolecular Modeling +13

Conditioning of quasi-Newton methods for function minimization

David F. Shanno · Mathematics of Computation · 1970 · 3.7K citations · Full text

Computing, Computer Science, Mathematics +13