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Protonation-induced stereoisomerism in nicotine: Conformational studies using classical (AMBER) and ab initio (Car–Parrinello) molecular dynamics

By Hammond Philip,Wu Yudong,Harris Rebecca,Minehardt Todd,Car Roberto,Schmitt Jeffrey in (2005)

Springer Publishing Company

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Free energy perturbation approach to the critical assessment of selective cyclooxygenase-2 inhibitors

By Park Hwangseo,Lee Sangyoub in (2005)

Springer Publishing Company

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The prediction of human oral absorption for diffusion rate-limited drugs based on heuristic method and support vector machine

By Liu H.,Hu R.,Zhang R.,Yao X.,Liu M.,Hu Z.,Fan B. in (2005)

Springer Publishing Company

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A very large diversity space of synthetically accessible compounds for use with drug design programs

By Nikitin Sergey,Zaitseva Natalia,Demina Olga,Solovieva Vera,Mazin Evgeny,Mikhalev Sergey,Smolov Maxim,Rubinov Anatoly,Vlasov Peter,Lepikhin Dmitry,Khachko Denis,Fokin Valery,Queen Cary,Zosimov Viktor in (2005)

Springer Publishing Company

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Journal of Computer-Aided Molecular Design incorporating Perspectives in Drug Discovery and Design

By in (2005)

Springer Publishing Company

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