Chemical theory and computation

door Berne, Bruce J.
Gepubliceerd in 2005

Can a continuum solvent model reproduce the free energy landscape of a β-hairpin folding in water?

door Zhou, Ruhong, Berne, Bruce J.
Gepubliceerd in 2002

Inelastic Light Scattering by Large Structured Particles

door Berne, Bruce J., Nossal, Ralph
Gepubliceerd in 1974

Dynamic light scattering : with applications to chemistry, biology, and physics /

door Berne, Bruce J., Pecora, Robert
Gepubliceerd in 1976.

The free energy landscape for β hairpin folding in explicit water

door Zhou, Ruhong, Berne, Bruce J., Germain, Robert
Gepubliceerd in 2001

Dewetting and Hydrophobic Interaction in Physical and Biological Systems

door Berne, Bruce J., Weeks, John D., Zhou, Ruhong
Gepubliceerd in 2009

The calculation of transport properties in quantum liquids using the maximum entropy numerical analytic continuation method: Application to liquid para-hydrogen

door Rabani, Eran, Reichman, David R., Krilov, Goran, Berne, Bruce J.
Gepubliceerd in 2002

Destruction of long-range interactions by a single mutation in lysozyme

door Zhou, Ruhong, Eleftheriou, Maria, Royyuru, Ajay K., Berne, Bruce J.
Gepubliceerd in 2007

How force unfolding differs from chemical denaturation

door Stirnemann, Guillaume, Kang, Seung-gu, Zhou, Ruhong, Berne, Bruce J.
Gepubliceerd in 2014

Importance of Accurate Charges in Molecular Docking: Quantum Mechanical/Molecular Mechanical (QM/MM) Approach

door CHO, ART E., GUALLAR, VICTOR, BERNE, BRUCE J., FRIESNER, RICHARD
Gepubliceerd in 2005

Nanoscale Dewetting Transition in Protein Complex Folding

door Hua, Lan, Huang, Xuhui, Liu, Pu, Zhou, Ruhong, Berne, Bruce J.
Gepubliceerd in 2007

Motifs for molecular recognition exploiting hydrophobic enclosure in protein–ligand binding

door Young, Tom, Abel, Robert, Kim, Byungchan, Berne, Bruce J., Friesner, Richard A.
Gepubliceerd in 2007

The role of the active site solvent in the thermodynamics of factor Xa-ligand binding

door Abel, Robert, Young, Tom, Farid, Ramy, Berne, Bruce J., Friesner, Richard A.
Gepubliceerd in 2008

Ultra-high vacuum scanning tunneling microscopy and theoretical studies of 1-halohexane monolayers on graphite

door Müller, Thomas, Werblowsky, Tova L., Florio, Gina M., Berne, Bruce J., Flynn, George W.
Gepubliceerd in 2005

How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory

door Mondal, Jagannath, Halverson, Duncan, Li, Isaac T. S., Stirnemann, Guillaume, Walker, Gilbert C., Berne, Bruce J.
Gepubliceerd in Proc Natl Acad Sci U S A (2015)

Signatures of hydrophobic collapse in extended proteins captured with force spectroscopy

door Walther, Kirstin A., Gräter, Frauke, Dougan, Lorna, Badilla, Carmen L., Berne, Bruce J., Fernandez, Julio M.
Gepubliceerd in 2007

Rate limit of protein elastic response is tether dependent

door Berkovich, Ronen, Hermans, Rodolfo I., Popa, Ionel, Stirnemann, Guillaume, Garcia-Manyes, Sergi, Berne, Bruce J., Fernandez, Julio M.
Gepubliceerd in 2012

Probing static disorder in Arrhenius kinetics by single-molecule force spectroscopy

door Kuo, Tzu-Ling, Garcia-Manyes, Sergi, Li, Jingyuan, Barel, Itay, Lu, Hui, Berne, Bruce J., Urbakh, Michael, Klafter, Joseph, Fernández, Julio M.
Gepubliceerd in 2010

Integrated Modeling Program, Applied Chemical Theory (IMPACT)

door BANKS, JAY L., BEARD, HEGE S., CAO, YIXIANG, CHO, ART E., DAMM, WOLFGANG, FARID, RAMY, FELTS, ANTHONY K., HALGREN, THOMAS A., MAINZ, DANIEL T., MAPLE, JON R., MURPHY, ROBERT, PHILIPP, DEAN M., REPASKY, MATTHEW P., ZHANG, LINDA Y., BERNE, BRUCE J., FRIESNER, RICHARD A., GALLICCHIO, EMILIO, LEVY, RONALD M.
Gepubliceerd in 2005

Diversity of Chemical Mechanisms in Thioredoxin Catalysis Revealed by Single-Molecule Force Spectroscopy

door Perez-Jimenez, Raul, Li, Jingyuan, Kosuri, Pallav, Sanchez-Romero, Inmaculada, Wiita, Arun P., Rodriguez-Larrea, David, Chueca, Ana, Holmgren, Arne, Miranda-Vizuete, Antonio, Becker, Katja, Cho, Seung-Hyun, Beckwith, Jon, Gelhaye, Eric, Jacquot, Jean P., Gaucher, Eric, Sanchez-Ruiz, Jose M., Berne, Bruce J., Fernandez, Julio M.
Gepubliceerd in 2009