PMC:7219429 / 7335-7605 JSONTXT 2 Projects

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Id Subject Object Predicate Lexical cue
T57 0-270 Sentence denotes Energy minimization of each system was then performed with the Polak-Ribière conjugate gradient algorithm, with CHARMM force field in Hyperchem, using a maximum of 3 × 105 steps, and a root-mean-square (RMS) gradient of 0.01 kcal. Å−1.mol−1 as the convergence condition.