David C. Chatfield

发表

CyberBridges A Model Collaboration Infrastructure for e-Science

Giri Narasimhan, Seyed Masoud Sadjadi, Donald A. Cox, 2007, CCGRID.

A Possible Mechanism for Redox Control of Human Neuroglobin Activity

Alexander N. Morozov, James P. Roach, David C. Chatfield, 2014, J. Chem. Inf. Model..

Methyl dynamics in crystalline amino acids: MD and NMR

Sergio E. Wong, David C. Chatfield, Cassian D'Cunha, 2003, J. Comput. Chem..

Molecular Dynamics of Staphylococcal Nuclease: Comparison of Simulation with 15N and 13C NMR Relaxation Data

Bernard R. Brooks, David C. Chatfield, B. Brooks, 1998 .

Complex generalized minimal residual algorithm for iterative solution of quantum-mechanical reactive scattering equations

Melissa S. Reeves, Donald G. Truhlar, David W. Schwenke, 1992 .

ENZYME MECHANISMS WITH HYBRID QUANTUM AND MOLECULAR MECHANICAL POTENTIALS.I. THEORETICAL CONSIDERATIONS

Bernard R. Brooks, Milan Hodošček, David C. Chatfield, 1996 .

Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method

Bernard R. Brooks, Milan Hodošček, Eric M. Billings, 2002 .

Preconditioned complex generalized minimal residual algorithm for dense algebraic variational equations in quantum reactive scattering

Melissa S. Reeves, Donald G. Truhlar, David C. Chatfield, 1993 .

Iterative methods for solving the non-sparse equations of quantum mechanical reactive scattering

Donald G. Truhlar, Kenneth Haug, Robert E. Wyatt, 1989 .

HIV-1 protease cleavage mechanism: A theoretical investigation based on classical MD simulation and reaction path calculations using a hybrid QM/MM potential

Bernard R. Brooks, David C. Chatfield, B. Brooks, 1998 .