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JCC
1998
66views more  JCC 1998»
14 years 17 days ago
Searching for saddle points of potential energy surfaces by following a reduced gradient
Wolfgang Quapp, Michael Hirsch, Olaf Imig, Dietmar...
JCC
1998
59views more  JCC 1998»
14 years 17 days ago
Calculation of solvation free energy using RISM theory for peptide in salt solution
Masahiro Kinoshita, Yuko Okamoto, Fumio Hirata
JCC
1998
46views more  JCC 1998»
14 years 17 days ago
Optimizing efficiency of perturbative Monte Carlo method
Tom J. Evans, Thanh N. Truong
JCC
1998
71views more  JCC 1998»
14 years 17 days ago
Docking small ligands in flexible binding sites
: A novel procedure for docking ligands in a flexible binding site is presented. It relies on conjugate gradient minimization, during which nonbonded interactions are gradually swi...
Joannis Apostolakis, Andreas Plückthun, Amede...