Probing the salt bridge in the dihydrofolate reductase-methotrexate complex by using the coordinate-coupled free-energy perturbation method.

Por Singh, U C
Publicado em 1988

A free-energy perturbation study of the binding of methotrexate to mutants of dihydrofolate reductase.

Por Singh, U C, Benkovic, S J
Publicado em 1988

Molecular dynamics simulations of d(C-G-C-G-A) X d(T-C-G-C-G) with and without "hydrated" counterions.

Por Singh, U C, Weiner, S J, Kollman, P
Publicado em 1985

A molecular dynamics simulation of double-helical B-DNA including counterions and water.

Por Seibel, G L, Singh, U C, Kollman, P A
Publicado em 1985

Molecular mechanical studies of d(CGTACG)2: complex of triostin A with the middle A - T base pairs in either Hoogsteen or Watson-Crick pairing.

Por Singh, U C, Pattabiraman, N, Langridge, R, Kollman, P A
Publicado em 1986