F. Brown

发表

Calculation of the relative change in binding free energy of a protein-inhibitor complex.

P. A. Bash, U. Singh, R. Langridge, 1987, Science.

Gaussian docking functions.

J. A. Grant, A. Nicholls, F. Brown, 2003, Biopolymers.

Chapter 35 – Chemoinformatics: What is it and How does it Impact Drug Discovery.

F. Brown, 1998 .

Theory and modeling of stereoselective organic reactions.

M. Paddon-Row, Y. Li, D. Spellmeyer, 1986, Science.

Matrix metalloproteinase inhibitors containing a (carboxyalkyl)amino zinc ligand: modification of the P1 and P2' residues.

M. Foley, D. Drewry, F. Brown, 1994 .

A quantum mechanical investigation of the annealing energy for phosphodiester, formacetal, and thioformacetal backbones

F. Brown, J. Veal, 1993 .

Evidence for the concerted mechanism of the Diels-Alder reaction of butadiene with ethylene.

K. Houk, F. Brown, Y. T. Lin, 1986, Journal of the American Chemical Society.

A theoretical study of intramolecular Diels-Alder and 1,3-dipolar cycloaddition stereoselectivity using ab initio methods, semiempirical methods, and a tandem quantum mechanic-molecular mechanic method

U. Singh, P. Kollman, K. Houk, 1992 .

Studies on the Structure and Function of Ubiquitin

D. Ecker, L. Mueller, F. Brown, 1990 .

Empirical force-field models for the transition states of intramolecular diels-alder reactions based upon ab initio transition structures

K. Houk, F. Brown, L. Raimondi, 1992 .

On the origin of cavity-filling conformations of macrocycles: a 1H NMR spectroscopic and force-field computational study

F. Diederich, K. Houk, F. Brown, 1988 .

On the Origin of Cavity-Filling Conformations of Macrocycles: A 1H NMR Spectroscopic and Force-Field Computational Study.

F. Diederich, K. Houk, F. Brown, 1989 .

The influence of substituent induced asynchronicity on the stereochemistries of intramolecular diels-alder reactions

K. Houk, F. Brown, 1985 .

Matrix metalloproteinase inhibitors containing a (carboxyalkyl)amino zinc ligand: modification of the P1 and P2' residues.

M. Foley, D. Drewry, F. Brown, 1994, Journal of medicinal chemistry.

Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states

W. L. Jorgensen, J. Madura, D. Spellmeyer, 1983 .

A force field model for the transition structures of intramolecular nitrile oxide cycloadditions

K. Houk, F. Brown, Yundong Wu, 1992 .

The STO-3G transition structure of the diels-alder reaction

K. Houk, F. Brown, 1985 .

The inside alkoxy effect in intramolecular nitrile oxide cycloadditions : ab initio and force field modeling

F. Brown, Yundong Wu, L. Raimondi, 1992 .

Transition structures of the Diels-Alder reaction of butadiene with acrolein

K. Houk, F. Brown, R. Loncharich, 1989 .

Modeling of steric control of facial stereoselectivity. Diels-Alder cycloadditions of unsymmetrically substituted cyclopentadienes

K. Houk, F. Brown, D. Burnell, 1987 .

Probing structural factors stabilizing antisense oligonucleotide duplexes: NMR studies of a DNA.DNA duplex containing a formacetal linkage.

N Bischofberger, F. Brown, K. Lin, 1992, Biochemistry.

Electronic Structures and Reactivities of Pyramidal Alkenes and Carbonyls

K. Houk, F. Brown, N. Rondan, 1983 .

Solution structures of human transforming growth factor alpha derived from 1H NMR data.

S. Brown, L. Mueller, K. Kopple, 1990, Biochemistry.

Practical Approaches to Efficient Screening: Information-Rich Screening Protocol

Frank K Brown, Prabha S Karnachi, F. Brown, 2004, Journal of biomolecular screening.

Conformational analysis of the endogenous μ‐opioid agonist endomorphin‐1 using NMR spectroscopy and molecular modeling

D. Ferguson, B. Podlogar, F. Brown, 1998, FEBS letters.

Isotope effects and alternative substrate reactivities for tryptophan 2,3-dioxygenase.

F. Brown, J. Wiseman, P. Brown, 1993, The Journal of biological chemistry.

Asymmetry of Chemical Similarity

Xin Chen, Frank K Brown, F. Brown, 2007, ChemMedChem.

Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40

Sujata Sharma, G. Bricogne, C. Vonrhein, 2017, Nature Structural &Molecular Biology.

An Approach to the Application of Free Energy Perturbation Methods Using Molecular Dynamics: Applications to the Transformations of CH3OH → CH3CH3, H3O+ → NH+ 4, Glycine → Alanine, and Alanine → Phenylalanine in Aqueous Solution and t

Peter A. Kollman, Frank K. Brown, U. C. Singh, 1987 .

Molecular dynamics simulations of "loop closing" in the enzyme triose phosphate isomerase.

P. Kollman, F. Brown, 1987, Journal of Molecular Biology.

Data is the currency of R&D, and that currency is now generated and traded globally.

E. Maliski, F. Brown, C. Waller, 2010, Current opinion in drug discovery & development.

Solution conformation of human big endothelin-1

F. Brown, M. Donlan, Peter W. Jeffs, 1992, Journal of biomolecular NMR.

Structure of biphenomycin A derived from two-dimensional NMR spectroscopy and molecular modeling

L. Mueller, F. Brown, J. Dixon, 1989 .

NMR template analysis of biphenomycin: the prediction of conformational domains defined by clustered distance constraints

F. Brown, J. Hempel, 1989 .

The evolution of drug design at Merck Research Laboratories

Edward C. Sherer, Frank K. Brown, M. Katharine Holloway, 2017, Journal of Computer-Aided Molecular Design.

NMR restraint analysis of transforming growth factor α: A key component for NMR structure refinement

F. Brown, P. Jeffs, J. Hempel, 1992, Proteins.

Do interhelical side chain-backbone hydrogen bonds participate in formation of leucine zipper coiled coils?

A. Tropsha, F. Brown, J. Bowen, 1991, Proceedings of the National Academy of Sciences of the United States of America.

Democratization of computational chemistry and Chem(o)informatics

Frank K. Brown, F. Brown, 2011, Journal of Computer-Aided Molecular Design.

Molecular Simulations Identify Binding Poses and Approximate Affinities of Stapled α-Helical Peptides to MDM2 and MDMX.

Ken A Dill, Joseph A Morrone, M Katharine Holloway, 2017, Journal of chemical theory and computation.