M. Waldman

发表

LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites.

C. Venkatachalam, X. Jiang, T. Oldfield, 2003, Journal of molecular graphics & modelling.

LigScore: a novel scoring function for predicting binding affinities.

C. Venkatachalam, X. Jiang, M. Waldman, 2005, Journal of molecular graphics & modelling.

Novel algorithms for the optimization of molecular diversity of combinatorial libraries11Color Plates for this article are on pages 533–536.

Hong Li, Marvin Waldman, Moises Hassan, 2000 .

Generalized electron gas-Drude model theory of intermolecular forces

R. Gordon, M. Waldman, 1979 .

Internal dynamics of van der Waals complexes. II. Determination of a potential energy surface for ArHCl

M. Waldman, W. Klemperer, S. Holmgren, 1978 .

Centrifugal distortion in ArHCl

S. Novick, M. Waldman, K. Janda, 1976 .

Optimization and visualization of molecular diversity of combinatorial libraries

Marvin Waldman, Moises Hassan, M. Waldman, 1996, Molecular Diversity.

Energy migration in a nearly one-dimensional compound, tetramethyl ammonium manganese chloride (TMMC)

D. McClure, M. Waldman, Hajime Yamamoto, 1977 .

Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules

Ming-Jing Hwang, Arnold T. Hagler, Marvin Waldman, 1994, J. Comput. Chem..

Internal dynamics of van der Waals complexes. I. Born–Oppenheimer separation of radial and angular motion

M. Waldman, W. Klemperer, S. Holmgren, 1977 .

Scaled electron gas approximation for intermolecular forces

Marvin Waldman, Roy G. Gordon, R. Gordon, 1979 .

Peptide conformation in 3D RMS-space: Application to two peptide antagonists of endothelin

M. Waldman, S. Koerber, J. C. Hempel, 1995 .

Generalized electron gas–Drude model theory for ion–molecule forces

R. Gordon, M. Waldman, 1979 .

Dipole moments and polarizabilities of rare gas atom pairs

R. Gordon, M. Waldman, E. Pearson, 1984 .

Using beta binomials to estimate classification uncertainty for ensemble models

Robert Fraczkiewicz, Marvin Waldman, Robert D. Clark, 2014, Journal of Cheminformatics.

Novel algorithms for the optimization of molecular diversity of combinatorial libraries.

M Waldman, H Li, M Hassan, 2000, Journal of molecular graphics & modelling.

New combining rules for rare gas van der waals parameters

Arnold T. Hagler, Marvin Waldman, A. Hagler, 1993, J. Comput. Chem..

Using Cheminformatics in Drug Discovery.

Robert Fraczkiewicz, Marvin Waldman, Michael S. Lawless, 2016, Handbook of experimental pharmacology.

Combinatorial library design for diversity, cost efficiency, and drug-like character.

Robert D. Brown, M. Waldman, M Waldman, 2000, Journal of molecular graphics & modelling.

Design of focused and restrained subsets from extremely large virtual libraries.

Marvin Waldman, Eric A Jamois, Chien T Lin, 2003, Journal of molecular graphics & modelling.

Tales from the war on error: the art and science of curating QSAR data

Robert Fraczkiewicz, Marvin Waldman, Robert D. Clark, 2015, Journal of Computer-Aided Molecular Design.

Application of structure‐based focusing to the estrogen receptor

Marvin Waldman, Rob Brown, Paul D. Kirchhoff, 2001, J. Comput. Chem..

Computer-Based Approaches to Drug Design

Philip Loftus, Marvin Waldman, Robert F. Hout, 1987 .

11th German Conference on Chemoinformatics (GCC 2015)

Timothy Clark, Jonathan W. Essex, Peter Kolb, 2016, J. Cheminformatics.

Evaluation of Reagent-Based and Product-Based Strategies in the Design of Combinatorial Library Subsets

Marvin Waldman, Eric A. Jamois, Moises Hassan, 2000, J. Chem. Inf. Comput. Sci..

Derivation of Class II Force Fields. 4. van der Waals Parameters of Alkali Metal Cations and Halide Anions

Ming-Jing Hwang, Arnold T. Hagler, Marvin Waldman, 1997 .

Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design

Marvin Waldman, Robert D. Clark, M. Waldman, 2011, Journal of Computer-Aided Molecular Design.

Derivation of class II force fields. VI. Carbohydrate compounds and anomeric effects.

A. Hagler, M. Waldman, M. Hwang, 1998, Biopolymers.