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Journal

Journal of Molecular Modeling

1610-2940 · Springer Science and Business Media LLC

108 verified public works

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The Important Role of Active Site Water in the Catalytic Mechanism of Human Carbonic Anhydrase II ? A Semiempirical MO Approach to the Hydration of CO 2 ?

1998 · 0 citations

Statistical Analysis of the Loop-Geometry on a Non-Redundant Database of Proteins

1998 · 0 citations

PDB2MultiGIF: A Web Tool to Create Animated Images of Molecules

1998 · 0 citations

Characterisation of Protein-Ligand Interfaces: Separating Surfaces

1998 · 0 citations

3D Model of the Acetylcholinesterase Catalytic Cavity Probed by Stereospecific Organophosphorous Inhibitors

1998 · 0 citations

Multiple Model Approach: Exploring the Limits of Comparative Modeling

1998 · 0 citations

Molecular Model for the C-type Lectin Domain of Human Thrombomodulin

1998 · 0 citations

Identifification of Substrate Channels and Protein Cavities

1998 · 0 citations

Host-guest Interactions in Intercalates Zr(HPO 4 ) 2 ·2C 2 H 5 OH and VOPO 4 ·2C 2 H 5 OH

1998 · 0 citations

Molecular Models for the two Discoidin Domains of Human Blood Coagulation Factor V

1998 · 0 citations

All-Orientation Search and All-Placement Search in Comparative Molecular Field Analysis

1998 · 0 citations

Modelling of the Sodium Complex of a Calixarene Tetraester in the 1,3-Alternate Conformation

1998 · 0 citations

A Molecular Electrostatic Potential Mapping Study of Some Fluoroquinolone Anti-Bacterial Agents

1998 · 0 citations

Molecular Modeling of the NPY Binding Site on the Y 1 Receptor

1998 · 0 citations

A Three Dimensional Model of Human Thiopurine Methyltransferase; Ligand Interactions and Structural Consequences of Naturally Occurring Mutations

1998 · 0 citations

From Tumor Necrosis Factor Receptor to RANK, from the Selectins and Link Proteins to CD44: New Molecular Models of Cell Surface Receptors and Analysis of Specificity Determinants

1998 · 0 citations

An Evaluation of the MM+ Force Field

1998 · 0 citations

Crystal Structure Prediction based on Statistical Potentials

1998 · 0 citations

Molecular Modeling of the Domain Shared Between CED-4 and its Mammalian Homologue Apaf-1: A Structural Relationship to the G-proteins

1998 · 0 citations

Stability Order of Basic Peptide Conformations Reflected by Density Functional Theory

1998 · 0 citations

Conformation of the Flavin Adenine Dinucleotide Cofactor FAD in DNA-Photolyase: A Molecular Dynamics Study

1998 · 31 citations

Three-Dimensional Models of Immune Cell Surface Proteins and Identification of Binding Sites

1998 · 0 citations

Molecular Modeling of Calixarenes with Group I Metal Ions

1998 · 0 citations

W3-SWEET: Carbohydrate Modeling By Internet

1998 · 0 citations

Nonlinear Charge Carriers in Polyacetylene

1998 · 0 citations

Extraction of Lipids from Phospholipid Membranes by Steered Molecular Dynamics

1997 · 0 citations

Three-dimensional Pharmacophore Hypotheses for the Locust Neuronal Octopamine Receptor (OAR3): 1. Antagonists

1997 · 0 citations

Interlayer Porosity in Montmorillonite Intercalated with Keggin-like Cation Studied by Molecular Mechanics Simulation

1997 · 0 citations

Chemistry of Convex versus Concave Carbon: The Reactive Exterior and the Inert Interior of C 60

1997 · 0 citations

Docking of a Series of Peptide-Based Interleukin-1� Converting Enzyme Inhibitors with Aspartyl Hemiacetals, a-((2,6-Dichlorobenzoyl)oxy)methyl and (Acyloxy)methyl Ketone Moieties

1997 · 0 citations

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