Placevent: An algorithm for prediction of explicit solvent atom distribution-Application to HIV-1 protease and F-ATP synthase - Sindhikara, Daniel J.; Yoshida, Norio; Hirata, Fumio (Journal of computational chemistry, 2012)
Keywords: Adenosine triphosphatase; Algorithms; ATPase rotor; Chemical synthesis; explicit solvent; HIV Protease - chemistry; HIV-1 - enzymology; HIV-1 protease; ion coordination; Models, Molecular; Molecular Dynamics Simulation; Molecular structure; Oligopeptides - chemistry; Proteases; Proton-Translocating ATPases - chemistry; refinement; solvent penetration; solvent prediction; Solvents; Solvents - chemistry; Three dimensional imaging; three-dimensional reference interaction site model; water distribution; water structure