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Chemistry

D-Index
46
Citations
8322
World Ranking
15984
National Ranking
3990

Overview

Heather A. Carlson is affiliated with the University of Michigan-Ann Arbor in the United States. Their research spans multiple interconnected domains within biochemistry, genetics, molecular biology, and medicine, with a significant focus on computational and experimental approaches to biological and medical challenges.

The main fields of study associated with Heather A. Carlson include:

  • Biochemistry, Genetics and Molecular Biology
  • Medicine

Within these broad fields, key subfields of study emphasize:

  • Molecular Biology
  • Computational Theory and Mathematics
  • Oncology
  • Infectious Diseases
  • Pharmacology

Their scientific work addresses a range of topics, notably:

  • Computational Drug Discovery Methods
  • Protein Structure and Dynamics
  • Palliative Care and End-of-Life Issues
  • Cancer Survivorship and Care
  • SARS-CoV-2 and COVID-19 Research
  • Enzyme Structure and Function
  • Childhood Cancer Survivors' Quality of Life

Heather A. Carlson has contributed to various peer-reviewed publications across several journals. Frequent publication venues include:

  • Scientific Reports
  • The FASEB Journal
  • Journal of Chemical Information and Modeling
  • Veterinary Sciences
  • Molecular Cancer Research

Selected recent papers with publication year and venue are:

  • Identification of Cryptic Binding Sites Using MixMD with Standard and Accelerated Molecular Dynamics, 2021, Journal of Chemical Information and Modeling
  • Randomized Trial of a Palliative Care Intervention to Improve End-of-Life Care Discussions in Patients With Metastatic Breast Cancer, 2022, Journal of the National Comprehensive Cancer Network
  • Telehealth vs In-Person Early Palliative Care for Patients With Advanced Lung Cancer, 2024, JAMA
  • Predicting Binding Sites From Unbound Versus Bound Protein Structures, 2020, Scientific Reports
  • In Silico Analysis of SARS-CoV-2 Proteins as Targets for Clinically Available Drugs, 2022, Scientific Reports

Their frequent collaborators include:

  • Wallace Chan
  • Richard D. Smith
  • John R. Traynor
  • Debarati DasGupta
  • Areej El-Jawahri

Best Publications

  • Development of polyphosphate parameters for use with the AMBER force field

    Kristin L. Meagher;Luke T. Redman;Heather A. Carlson

  • Accommodating protein flexibility in computational drug design.

    Heather A. Carlson;J. Andrew McCammon

  • Protein flexibility and drug design: how to hit a moving target.

    Heather A Carlson

  • Binding MOAD (Mother of All Databases)

    Liegi Hu;Mark L. Benson;Richard D. Smith;Michael G. Lerner

  • Developing a Dynamic Pharmacophore Model for HIV-1 Integrase

    H A Carlson;K M Masukawa;K Rubins;F D Bushman

  • AN EXTENDED LINEAR RESPONSE METHOD FOR DETERMINING FREE ENERGIES OF HYDRATION

    Heather A. Carlson;William L. Jorgensen

  • D3R Grand Challenge 2015: Evaluation of Protein-Ligand Pose and Affinity Predictions

    Symon Gathiaka;Shuai Liu;Michael Chiu;Huanwang Yang

  • Accuracy of free energies of hydration for organic molecules from 6-31G-derived partial charges

    Heather A. Carlson;Toan B. Nguyen;Modesto Orozco;William L. Jorgensen

  • CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes

    James B. Dunbar;Richard D. Smith;Chao Yie Yang;Peter Man Un Ung

  • Binding of a small molecule at a protein-protein interface regulates the chaperone activity of hsp70-hsp40.

    Susanne Wisén;Eric B Bertelsen;Andrea D Thompson;Srikanth Patury

  • Protein flexibility is an important component of structure-based drug discovery

    Heather A. Carlson

  • Gaussian-Weighted RMSD Superposition of Proteins: A Structural Comparison for Flexible Proteins and Predicted Protein Structures

    Kelly L. Damm;Heather A. Carlson

  • Protein flexibility in docking and surface mapping.

    Katrina W. Lexa;Heather A. Carlson

  • Small molecule inhibitors of the MDM2-p53 interaction discovered by ensemble-based receptor models.

    Anna L. Bowman;Zaneta Nikolovska-Coleska;Haizhen Zhong;Shaomeng Wang

  • Exploring experimental sources of multiple protein conformations in structure-based drug design.

    Kelly L. Damm;Heather A. Carlson

  • CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions

    Richard D. Smith;James B. Dunbar;Peter Man-Un Ung;Emilio Xavier Esposito

  • CSAR Benchmark Exercise 2011–2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series

    Kelly L. Damm-Ganamet;Richard D. Smith;James B. Dunbar;Jeanne A. Stuckey

  • Method for Including the Dynamic Fluctuations of a Protein in Computer-Aided Drug Design

    Heather A. Carlson;Kevin M. Masukawa;J. Andrew McCammon

  • Incorporating Protein Flexibility in Structure-Based Drug Discovery: Using HIV-1 Protease as a Test Case

    Kristin L. Meagher;Heather A. Carlson

  • Full Protein Flexibility Is Essential for Proper Hot-Spot Mapping

    Katrina W. Lexa;Heather A. Carlson

  • CSAR data set release 2012: ligands, affinities, complexes, and docking decoys.

    James B. Dunbar;Richard D. Smith;Kelly L. Damm-Ganamet;Aqeel Ahmed

  • Driving Structure-Based Drug Discovery through Cosolvent Molecular Dynamics

    Phani Ghanakota;Heather A. Carlson

Frequent Co-Authors

Richard D. Smith
Richard D. Smith Pacific Northwest National Laboratory
Jason E. Gestwicki
Jason E. Gestwicki University of California, San Francisco
Jeanne A. Stuckey
Jeanne A. Stuckey University of Michigan–Ann Arbor
William L. Jorgensen
William L. Jorgensen Yale University
J. Andrew McCammon
J. Andrew McCammon University of California, San Diego
Arul M. Chinnaiyan
Arul M. Chinnaiyan University of Michigan–Ann Arbor
Ross L. Cagan
Ross L. Cagan Icahn School of Medicine at Mount Sinai
John J. G. Tesmer
John J. G. Tesmer Purdue University West Lafayette
Shaomeng Wang
Shaomeng Wang University of Michigan–Ann Arbor
Eva L. Feldman
Eva L. Feldman University of Michigan–Ann Arbor

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