Company lists · Data refreshed September 2026

Top 25 Structural biology software companies based in the United States

RevenueBase identified 158 structural biology software companies headquartered in the United States as of September 2026 and tracks 5,244 professional contacts across them, including 3,202 with verified work emails and 2,015 with mobile numbers. San Diego is the largest hub.

This list covers structural biology software companies headquartered in the United States, matched on what each company actually does as described in its own words. Ranked by team size, largest first. Every row shows the company's own description, its RevenueBase Smart Search rating, and when it was last checked. Data refreshed September 6, 2026.

Published by RevenueBase, a B2B data infrastructure company. This list was built with RevenueBase Smart Search, the natural-language company search RevenueBase customers use to build their own targeted lists and unlock verified emails and direct dials at the companies on them. How these lists are built and judged.

How to read this list HQ checked on every row RevenueBase Smart Search rating on every row Refreshed Sep 6, 2026 86% judged on-target in blind review
158Companies
5,244Contacts tracked
3,202Verified emails
2,015Mobile numbers
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The 25 largest structural biology software companies based in the United States

Ranked by team size
Top 25 of 158 structural biology software companies based in the United States, ranked by team size, largest first. Data refreshed Sep 6, 2026. RevenueBase Smart Search rates how each company's information relates to structural biology software companies: strong evidence (its own description names it), partial (names part of it), indirect (matched on the rest of its profile rather than the description shown). Click a contact count to view that company's people.
#CompanyRevenueBase Smart SearchHeadquartersEmployeesContacts
1Partial evidenceRadnor, PA, United StatesHQ checked Sep 6, 20261,001-5,0001,237 contacts →

“Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.”

Source: company website · checked Sep 6, 2026
2Indirect evidenceNew York, NY, United StatesHQ checked Sep 6, 2026501-1,000957 contacts →

“Schrödinger’s industry-leading computational platform facilitates the research efforts of biopharmaceutical and industrial companies, academic institutions, and government…”

Source: company website · checked Sep 6, 2026
3Partial evidenceBoston, MA, United StatesHQ checked Sep 6, 2026501-1,000405 contacts →

“Dotmatics is the global leader in R&D scientific software that connects science, data, and decision-making.”

Source: company website · checked Sep 6, 2026
4Indirect evidenceCambridge, MA, United StatesHQ checked Sep 6, 202651-200232 contacts →

“Relay Therapeutics is a clinical-stage precision medicines company transforming the drug discovery process.”

Source: company website · checked Sep 6, 2026
5Indirect evidenceNew York, NY, United StatesHQ checked Sep 6, 202651-200149 contacts →

“D.”

Source: company website · checked Sep 6, 2026
6Indirect evidenceNewark, CA, United StatesHQ checked Sep 6, 202651-200122 contacts →

“ATUM is an industry-leading provider of life science tools and solutions.”

Source: company website · checked Sep 6, 2026
7Partial evidenceSanta Fe, NM, United StatesHQ checked Sep 6, 202651-200121 contacts →

“OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and…”

Source: company website · checked Sep 6, 2026
8Strong evidenceWaltham, MA, United StatesHQ checked Sep 6, 202611-50101 contacts →

“At Ventus, we are pioneering a unique approach to structure-based drug discovery to address biologically validated, but difficult-to-drug targets.”

Source: company website · checked Sep 6, 2026
9Partial evidenceBurlingame, CA, United StatesHQ checked Sep 6, 202651-20091 contacts →

“Collaborative Drug Discovery's CDD VAULT is a hosted biological and chemical database that securely manages your private and external data.”

Source: company website · checked Sep 6, 2026
10Strong evidenceNew York, NY, United StatesHQ checked Sep 6, 202651-20070 contacts →

“NYSBC is a global leader in structural biology with unsurpassed instrumentation and expertise, providing biomedical research services to commercial and academic clients, including…”

Source: company website · checked Sep 6, 2026
11Partial evidenceBoston, MA, United StatesHQ checked Sep 6, 202651-20059 contacts →

“Protein Metrics' vendor-neutral software allows scientists to use data generated on analytical instruments like mass spectrometers to quickly identify and report protein sequences…”

Source: company website · checked Sep 6, 2026
12Indirect evidenceSeattle, WA, United StatesHQ checked Sep 6, 202611-5054 contacts →

“A-Alpha Bio is a biotechnology platform company that measures, predicts, and engineers protein-protein interactions at scale.”

Source: company website · checked Sep 6, 2026
13Indirect evidenceSouth San Francisco, WA, United StatesHQ checked Sep 6, 202611-5050 contacts →

“Vilya is a cutting-edge computational biotechnology company, co-founded a team of scientists from from the Institute of Protein Design (IPD) led by David Baker, Ph.D.”

Source: company website · checked Sep 6, 2026
14Partial evidenceSan Diego, CA, United StatesHQ checked Sep 6, 202651-20050 contacts →

“Visualizing biomolecular structures through cryo-EM studies can provide insight into multiple stages of the drug development process, from target identification through…”

Source: company website · checked Sep 6, 2026
15Indirect evidenceSan Diego, CA, United StatesHQ checked Sep 6, 202651-20047 contacts →

“Belharra Therapeutics, Inc.”

Source: company website · checked Sep 6, 2026
16Partial evidenceSuite 203, United StatesHQ checked Sep 6, 202651-20041 contacts →

“Scilligence is a leading innovator of cross-platform, mobile cheminformatics and bioinformatics software solutions.”

Source: company website · checked Sep 6, 2026
17Indirect evidenceUpland, CA, United StatesHQ checked Sep 6, 202651-20040 contacts →

“UVP stands as a world-renowned leader, distinguished for its excellence in manufacturing and developing cutting-edge Bioimaging Systems tailored for Genomic, Proteomic, and In…”

Source: company website · checked Sep 6, 2026
18Indirect evidenceCambridge, MA, United StatesHQ checked Sep 6, 202611-5036 contacts →

“LifeCanvas is a biotech company building pioneering technologies in volumetric tissue processing, light sheet imaging, and data analysis.”

Source: company website · checked Sep 6, 2026
19Indirect evidenceBrooklyn, United StatesHQ checked Sep 6, 202611-5035 contacts →

“Overview: AccutarBio employs artificial intelligence to revolutionize drug discovery.”

Source: company website · checked Sep 6, 2026
20Indirect evidenceBoston, MA, United StatesHQ checked Sep 6, 202611-5035 contacts →

“We provide advanced 3D microstructure analysis insights that predict product quality and performance to accelerate your pharmaceutical development and regulatory success.”

Source: company website · checked Sep 6, 2026
21Indirect evidenceBoston, MA, United StatesHQ checked Sep 6, 202611-5034 contacts →

“Magnet Biomedicine is a biotechnology company advancing molecular glue discovery with rational selection and design.”

Source: company website · checked Sep 6, 2026
22Partial evidenceAnn Arbor, MI, United StatesHQ checked Sep 6, 202611-5032 contacts →

“Gene Codes Corporation is an international software firm specializing in bioinformatics software for DNA sequence analysis.”

Source: company website · checked Sep 6, 2026
23Indirect evidenceSan Francisco, CA, United StatesHQ checked Sep 6, 202611-5031 contacts →

“Atomwise is a preclinical pharma company revolutionizing how drugs are discovered with AI.”

Source: company website · checked Sep 6, 2026
24Partial evidenceDublin, OH, United StatesHQ checked Sep 6, 202611-5030 contacts →

“Since its founding in 1992, bioWORLD has established, maintained, and succeeded in its core mission to manufacture and supply high-quality molecular tools, biological reagents…”

Source: company website · checked Sep 6, 2026
25Partial evidenceGolden, CO, United StatesHQ checked Sep 6, 202611-5028 contacts →

“Founded in 1983, Golden Software is a leading provider of scientific graphics software, specializing in the development of software that transforms both simple and complex data…”

Source: company website · checked Sep 6, 2026

Showing 25 of 158 structural biology software companies based in the United States

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Structural biology software companies based in the United States at a glance

As of Sep 6, 2026
61.1%Verified-email coverage
38.4%Mobile-number coverage
33.2Average contacts per company
1-10Median size (employees)
7.6%Largest-city concentration · San Diego
Sep 6, 2026Page data refreshed

Companies by employee count

1-10
92
11-50
45
51-200
14
201-500
3
501-1,000
2
1,001-5,000
1
5,001-10,000
1

Freshness & accuracy

How recently the business emails on this list were verified

Email last verified

How this list was built

Company categories are rarely black and white. RevenueBase reads each company's own description of its business to decide whether it belongs among structural biology software companies, so some rows will be adjacent to the category rather than pure plays. The description and RevenueBase Smart Search rating on every row are there so you can check each match yourself.

Source
The RevenueBase company graph: 60 million companies and 398.9 million professional contacts resolved from primary sources, queried with RevenueBase Smart Search, the natural-language company search available to every RevenueBase user.
What qualifies
Companies headquartered in the United States whose own description of what they do matches “structural biology software companies”. Matching reads each company's description, not its industry code or its name.
RevenueBase Smart Search
RevenueBase Smart Search is how this list is assembled and how each row is rated. RevenueBase's data engine and AI assess a company's LinkedIn profile, information supplied directly by the company, its website and other publicly available information, then relate it to a category defined in a user's own words. Each row is rated strong evidence (its own description names structural biology software companies), partial evidence (it names part of the category) or indirect evidence (the description shown names none of it and the match rests on the rest of the company's profile). The description supporting each rating is quoted on the row.
What we exclude
Companies whose own description does not clearly place them among structural biology software companies, and records with no verified work email. Companies headquartered outside United States are excluded even when they keep an office there.
Match quality
In blind human judging of this matching method, 86% of matched companies were on target. Expect roughly 1 in 7 rows to be adjacent to the category rather than a pure play. Every row shows the company's own description and its RevenueBase Smart Search rating so you can judge each match yourself. Read the full methodology: how the lists are built, how the judging worked, and what the figure means.
Ranking
Team size, largest first: companies are ordered by the number of professionals RevenueBase tracks at each one. Employee ranges shown are reported bands, for context.
Verification
Every listed company carries at least one verified work email, 3,202 across the full list. Contacts re-verify on a rolling cadence, and each contact's own verification date is shown inside RevenueBase.
Refresh
This page's figures were pulled from the company graph on September 6, 2026. Lists refresh periodically as the graph is re-checked.
Corrections
Wrong category, wrong headquarters, or a company that has closed? Use “Report an issue” on any row. Reports go to the RevenueBase Data Team and feed back into the company graph.

Frequently asked

What is RevenueBase Smart Search?

RevenueBase Smart Search is how RevenueBase decides which companies belong on this list and how strongly each one fits. Its data engine and AI assess a company's LinkedIn profile, information supplied directly by the company, its website and other publicly available information, then relate it to the category the list is about. Each row is rated strong evidence when the company's own description names structural biology software companies, partial evidence when it names part of the category, and indirect evidence when the description shown names none of it and the match rests on the rest of the company's profile.

How many structural biology software companies are there based in the United States?

RevenueBase identified 158 structural biology software companies headquartered in the United States as of September 2026, matched on each company's own description of what it does rather than its industry code.

What is the largest company on this list?

Certara, headquartered in Radnor, tops this list with the largest team on record.

Which city has the most structural biology software companies?

San Diego leads with 12 headquartered companies, followed by San Francisco (10) and Boston (9).

How do I get contact information for these companies?

A free RevenueBase account lets you run this exact search and work the top results, verified emails and direct dials included. Upgrading unlocks all 3,202 verified decision-maker contacts tracked across these 158 companies.

How current is this list?

The list refreshes periodically as the company graph is re-checked. This page's figures were pulled on September 6, 2026.

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About this data

RevenueBase is a B2B data infrastructure company. Its company graph covers 60 million companies and 398.9 million professional contacts, with emails verified on a rolling cadence rather than scraped once and left to decay. These company lists are generated directly from that graph with RevenueBase Smart Search, the same natural-language company search every RevenueBase user has: describe a market in plain words, get the companies that match, and add verified emails and direct dials for the people at them. It is the same data that powers RevenueBase's B2B data products, and a free account includes 500 credits to start. How these lists are built and judged.